<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338672</id>
  <title nil="true"/>
  <common-name>2-amino-1-(4-bromo-2-fluorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name>
  <description>2-amino-1-(4-bromo-2-fluorophenyl)-4-[4-(dimethylamino)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is a compound with the formula C24H22BrFN4O. It has an average molecular weight of 481.40 g/mol.</description>
  <cas>309277-31-4</cas>
  <pubchem-id>3961019</pubchem-id>
  <chemical-formula>C24H22BrFN4O</chemical-formula>
  <weight>481.4</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">2026-08-30T21:48:41Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:48:41Z</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>CN(C)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)Br)F)N)C#N</moldb-smiles>
  <moldb-formula>C24H22BrFN4O</moldb-formula>
  <moldb-inchi>InChI=1S/C24H22BrFN4O/c1-29(2)16-9-6-14(7-10-16)22-17(13-27)24(28)30(19-11-8-15(25)12-18(19)26)20-4-3-5-21(31)23(20)22/h6-12,22H,3-5,28H2,1-2H3</moldb-inchi>
  <moldb-inchikey>DSTGRWJEOFPCIX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">480.0961</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM334565</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-[4-(dimethylamino)phenyl]-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>CED0289098</sync-id>
  <structure-inchikey>DSTGRWJEOFPCIX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000080000000000000000000000000000800000000004000000100000000000000000020000000000000000000000000000000000000000000000000000000000000000000000100000000000020001020400010000000804001000200000200000000000000000000104008000400020100000080000000000000100800000040000080008000000000800004101000040000000000000000000001000100000000000400000000189000000000040000004000000000000000000000000000000200000000000100000000000002000800000000200210000000000010000000008000000040000200081000800000000000000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>7014d0008d12867081001f64c128a0409202140283052010813d60c08224484c6c220459138002000100490a08c080200460032d42cd3225002e673984a84010c7113c881a80140800931040127202000a14858151211f334a0415e2402258040c38052f004c2228600c8481dd94006c248680508581c144511c244002710202184400094ef8824808a60250c86d0018391d8ab244411e825023082060c0c18404d7303008b2c23002004968017c35140ec00402a941084012a04b301cc00212a09000e404d0003319c085c0563102900c010010034052000d610280ab02830093304d1008890120538804015196208a2850453090c2040e9108120052030607</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIgAAAIABBgBgAAAAAQMHACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:22Z</structure-indexed-at>
</compound>
