3-(2-Hydroxycyclohexyl)-6-[(6-methylpyridin-3-yl)methyl]-3h,4h-benzo[h]quinazolin-4-one (CHEM103362)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 13:53:43 UTC | ||||||||
| Update Date | 2026-08-22 05:00:24 UTC | ||||||||
| Accession Number | CHEM103362 | ||||||||
| Identification | |||||||||
| Common Name | 3-(2-Hydroxycyclohexyl)-6-[(6-methylpyridin-3-yl)methyl]-3h,4h-benzo[h]quinazolin-4-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-(2-Hydroxycyclohexyl)-6-[(6-methylpyridin-3-yl)methyl]-3h,4h-benzo[h]quinazolin-4-one belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the formula C25H25N3O2 and an average molecular weight of 399.49 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H25N3O2 | ||||||||
| Average Molecular Mass | 399.494 g/mol | ||||||||
| Monoisotopic Mass | 399.195 g/mol | ||||||||
| CAS Registry Number | 1227923-29-6 | ||||||||
| IUPAC Name | 3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]-3H,4H-benzo[h]quinazolin-4-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(CC2=CC3=C(N=CN([C@H]4CCCC[C@@H]4O)C3=O)C3=CC=CC=C23)C=N1 | ||||||||
| InChI Identifier | InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1 | ||||||||
| InChI Key | JUVQLZBJFOGEEO-GOTSBHOMSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
