330595 <common-name>2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4h-quinoline-3-carbonitrile</common-name> <description>2-amino-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4h-quinoline-3-carbonitrile is a chemical compound with the formula C22H20ClN3OS. It has an average molecular weight of 409.90 g/mol.</description> <cas>311327-30-7</cas> <pubchem-id>3886358</pubchem-id> <chemical-formula>C22H20ClN3OS</chemical-formula> <weight>409.9</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">2026-08-30T11:14:14Z</created-at> <updated-at type="dateTime">2026-08-30T11:14:14Z</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(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC=CS4)C(=O)C1)C</moldb-smiles> <moldb-formula>C22H20ClN3OS</moldb-formula> <moldb-inchi>InChI=1S/C22H20ClN3OS/c1-22(2)10-16-20(17(27)11-22)19(18-4-3-9-28-18)15(12-24)21(25)26(16)14-7-5-13(23)6-8-14/h3-9,19H,10-11,25H2,1-2H3</moldb-inchi> <moldb-inchikey>PMHRFWBGNWFMPK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">409.1015611</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM326488</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-(4-chlorophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-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>CED0281143</sync-id> <structure-inchikey>PMHRFWBGNWFMPK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000080000000000000000000000004000000400000004080084140000000000000000020000000040000000101000000000000000000000000000000000000000000400000000100000000000060000034400000000000000001000000000200000080000000000000000000000000020108000000000000000000100000000048020080800000000000800000001080000000000000000000000020000004000000000000000000088100000000000000004000000100000000000000000001000200000000000000200000000012000000000000000200000000000000000040000000000040000200000000000000000000000000000000000004</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��� ��(������������ � h���h�B������������������� �� � ����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:06Z</structure-indexed-at> </compound>