107096 <common-name>9-Chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-3h,6h,7h-pyrrolo[3,2-f]quinolin-7-one</common-name> <description nil="true"/> <cas>917891-35-1</cas> <pubchem-id nil="true"/> <chemical-formula>C16H14ClF3N2O</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T13:39:05Z</created-at> <updated-at type="dateTime">2026-05-14T19:38:39Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB13937</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC1=C(C)C2=C(C=CC3=C2C(Cl)=CC(=O)N3)N1CC(F)(F)F</moldb-smiles> <moldb-formula>C16H14ClF3N2O</moldb-formula> <moldb-inchi>InChI=1S/C16H14ClF3N2O/c1-3-11-8(2)14-12(22(11)7-16(18,19)20)5-4-10-15(14)9(17)6-13(23)21-10/h4-6H,3,7H2,1-2H3,(H,21,23)</moldb-inchi> <moldb-inchikey>OMXGOGXEWUCLFI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">342.75</moldb-average-mass> <moldb-mono-mass type="decimal">342.0746754</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.26</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM102989</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00072559</susdat-id> <iupac>9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-3H,6H,7H-pyrrolo[3,2-f]quinolin-7-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Pyrroloquinolines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0108147</sync-id> </compound>