<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338438</id>
  <title nil="true"/>
  <common-name>2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile</common-name>
  <description>2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile is a chemical compound with the formula C24H21Br2N3O. With an average molecular weight of 527.20 g/mol, 2-amino-1,4-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile is a heavy molecule.</description>
  <cas>311318-15-7</cas>
  <pubchem-id>4592644</pubchem-id>
  <chemical-formula>C24H21Br2N3O</chemical-formula>
  <weight>527.2</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">2026-08-30T21:32:40Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:32:40Z</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)Br)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C</moldb-smiles>
  <moldb-formula>C24H21Br2N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C24H21Br2N3O/c1-24(2)11-19-22(20(30)12-24)21(14-3-5-15(25)6-4-14)18(13-27)23(28)29(19)17-9-7-16(26)8-10-17/h3-10,21H,11-12,28H2,1-2H3</moldb-inchi>
  <moldb-inchikey>XQLJHHLQUATEJO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">525.00514</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM334331</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-bis(4-bromophenyl)-7,7-dimethyl-5-oxo-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>CED0288865</sync-id>
  <structure-inchikey>XQLJHHLQUATEJO-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:13Z</structure-indexed-at>
</compound>
