330379 <common-name>2-amino-1-(4-bromo-2-fluorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name> <description>2-amino-1-(4-bromo-2-fluorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a chemical compound with the formula C22H19BrFN3OS2. With an average molecular weight of 504.40 g/mol, 2-amino-1-(4-bromo-2-fluorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a heavy molecule.</description> <cas>476483-96-2</cas> <pubchem-id>4574133</pubchem-id> <chemical-formula>C22H19BrFN3OS2</chemical-formula> <weight>504.4</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">2026-08-30T10:55:10Z</created-at> <updated-at type="dateTime">2026-08-30T10:55:10Z</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>CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N</moldb-smiles> <moldb-formula>C22H19BrFN3OS2</moldb-formula> <moldb-inchi>InChI=1S/C22H19BrFN3OS2/c1-2-29-22-13(8-9-30-22)19-14(11-25)21(26)27(16-7-6-12(23)10-15(16)24)17-4-3-5-18(28)20(17)19/h6-10,19H,2-5,26H2,1H3</moldb-inchi> <moldb-inchikey>MIUNKPYXDUQUNL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">503.0137</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM326272</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-bromo-2-fluorophenyl)-4-(2-ethylsulfanylthiophen-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>CED0280928</sync-id> <structure-inchikey>MIUNKPYXDUQUNL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80020000000080800000800000000900000000000c00000400004000000100000000000002000020000004000000000000000000000000000000000000000000000000000020000000000100000000000020001030400010000000800001000200000200000000000000000000100008000400020100000000000000000000101800000040000080000000000000800004001000040000000000000040000000000100000000000400000000089000000000000000004000000000000000000000000001000200000000410100000000000002000100000000200210100000000000000000008000000040000200081000800000000000000000000000000000</structure-fingerprint> 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