330569 <common-name>2-amino-1-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name> <description>2-amino-1-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a chemical compound with the formula C22H20BrN3OS. It has an average molecular weight of 454.40 g/mol.</description> <cas>441783-22-8</cas> <pubchem-id>4462643</pubchem-id> <chemical-formula>C22H20BrN3OS</chemical-formula> <weight>454.4</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">2026-08-30T11:11:55Z</created-at> <updated-at type="dateTime">2026-08-30T11:11:55Z</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=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Br)N)C#N</moldb-smiles> <moldb-formula>C22H20BrN3OS</moldb-formula> <moldb-inchi>InChI=1S/C22H20BrN3OS/c1-12-9-16(13(2)28-12)20-17(11-24)22(25)26(15-6-3-5-14(23)10-15)18-7-4-8-19(27)21(18)20/h3,5-6,9-10,20H,4,7-8,25H2,1-2H3</moldb-inchi> <moldb-inchikey>BVNFRYQRJZISEY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">453.05105</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>CHEM326462</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-bromophenyl)-4-(2,5-dimethylthiophen-3-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>CED0281117</sync-id> <structure-inchikey>BVNFRYQRJZISEY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000090800000000001000000000000002000000000004000000100000000000000000060000000000000000000000004000000000000000004000000000000000000000000000100000000000020001030400000000040800001000200000200000000000000000000100008000400020100000000000000000000101801004040000080800000000000800000001000000000000000000000000000000000000000000400000000089040000000000000004000000000100000000000000000000200000000000100200000000002000000002000200210000000000000004040000000000040000200000000000000000000000000000000000000</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">2026-09-19T05:33:04Z</structure-indexed-at> </compound>