| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-06-03 11:26:58 UTC |
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| Update Date | 2016-11-09 01:23:01 UTC |
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| Accession Number | CHEM043926 |
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| Identification |
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| Common Name | Viquidil |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 3-(3-Ethenyl-4-piperidinyl)-1-(6-methoxy-4-quinolinyl)-1-propanone | MeSH | | Viquidil hydrochloride, (3R-trans)-isomer | MeSH | | Viquidil monohydrochloride, (3R-trans)-isomer | MeSH | | Viquidil monohydrochloride | MeSH | | Viquidil, (3R-cis)-isomer | MeSH | | Desclidium | MeSH | | Viquidil | MeSH |
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| Chemical Formula | C20H24N2O2 |
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| Average Molecular Mass | 324.424 g/mol |
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| Monoisotopic Mass | 324.184 g/mol |
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| CAS Registry Number | 84-55-9 |
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| IUPAC Name | 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one |
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| Traditional Name | 3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one |
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| SMILES | [H][C@@]1(CCC(=O)C2=C3C=C(OC)C=CC3=NC=C2)CCNC[C@]1([H])C=C |
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| InChI Identifier | InChI=1S/C20H24N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3/t14-,15+/m0/s1 |
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| InChI Key | DKRSEIPLAZTSFD-LSDHHAIUSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Quinolines and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Quinolines and derivatives |
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| Alternative Parents | |
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| Substituents | - Quinoline
- Anisole
- Aryl alkyl ketone
- Aryl ketone
- Alkyl aryl ether
- Piperidine
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Ketone
- Secondary aliphatic amine
- Ether
- Azacycle
- Secondary amine
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Amine
- Organic nitrogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0219000000-6da1773dfca1a731d8bb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0912000000-d1025eeef2e1c8844253 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-2900000000-4b705e15d236885e2f9d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0009000000-5f1578ae25bd86bdd22d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-0449000000-554ae2d76b09d61fe648 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ab9-2961000000-d06f70fe4f6517b2db4f | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 65753 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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