335200 <common-name>2-amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name> <description>2-amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a chemical compound with the formula C23H22ClN3OS. It has an average molecular weight of 424.00 g/mol.</description> <cas>441783-61-5</cas> <pubchem-id>4052032</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">2026-08-30T17:15:37Z</created-at> <updated-at type="dateTime">2026-08-30T17:15:37Z</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>CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C(=CC=C4)Cl)C)N)C#N</moldb-smiles> <moldb-formula>C23H22ClN3OS</moldb-formula> <moldb-inchi>InChI=1S/C23H22ClN3OS/c1-3-14-10-11-20(29-14)21-15(12-25)23(26)27(17-7-4-6-16(24)13(17)2)18-8-5-9-19(28)22(18)21/h4,6-7,10-11,21H,3,5,8-9,26H2,1-2H3</moldb-inchi> <moldb-inchikey>RVUCHCFSWPSVNE-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>CHEM331093</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)-4-(5-ethylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-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>CED0285675</sync-id> <structure-inchikey>RVUCHCFSWPSVNE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000080000000800000000000000000002000400000004000000100080000000002000020000000000002000000000000000000000000000040000080000000000000400000000100000000000020801030400000000000000001000000000200000000000000000000000008000000020100000000020000000000100801000040000080800000000000800000001000000000001000000000000000000100000000000400000000089000000000000000004000000000008000000000000040000200000000000000010000000012000000002000220210000000000100000000000000000040000200000000000000000000000000000002080004</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`������@(������@h�������@h�������@(������@(�������`�������(�������(�������(�������(�������(�������(�������(�������`�������`�������`������@(������@(������@(������@h�������@h�������@h�������� ������`�������h��������(�������(��������������h���h���h���h�������� (� � ��(�� �(� �������� � ��h���h���h���h���h������� � �� ��(���h���������h�B������������ ���� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:55Z</structure-indexed-at> </compound>