335199 <common-name>2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4h-quinoline-3-carbonitrile</common-name> <description>2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4h-quinoline-3-carbonitrile is a chemical compound with the formula C23H22ClN3OS. It has an average molecular weight of 424.00 g/mol.</description> <cas>339314-06-6</cas> <pubchem-id>4052132</pubchem-id> <chemical-formula>C23H22ClN3OS</chemical-formula> <weight>424</weight> <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">2026-08-30T17:15:32Z</created-at> <updated-at type="dateTime">2026-08-30T17:15:32Z</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 nil="true"/> <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>CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CC(C3)(C)C</moldb-smiles> <moldb-formula>C23H22ClN3OS</moldb-formula> <moldb-inchi>InChI=1S/C23H22ClN3OS/c1-13-16(24)5-4-6-17(13)27-18-9-23(2,3)10-19(28)21(18)20(14-7-8-29-12-14)15(11-25)22(27)26/h4-8,12,20H,9-10,26H2,1-3H3</moldb-inchi> <moldb-inchikey>KKZJQGMVPIRVHK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">423.1172112</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.2</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>CHEM331092</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4h-quinoline-3-carbonitrile</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>Phenylquinolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0285674</sync-id> <structure-inchikey>KKZJQGMVPIRVHK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80020000000080000000000000000000000004000000000000004000080100080000000000000020000000040002000001000000000000000000000040000000000000000080400000000100000000000020000030400000000000000001000000000200000000000000000000000000000000020108004000020010000000100001000048000080800000000000800000001000000000000000000000000021000104000000000000000000088000000000040000004000000100008000000000000040000200000000000000010000000812000000002000000200004000000000000000000000000040000a00000000000000000000000000000000010000</structure-fingerprint> 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