<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344414</id>
  <title nil="true"/>
  <common-name>2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile</common-name>
  <description>2-amino-1-(4-chlorophenyl)-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile is a compound with the formula C26H26ClN3O. It has an average molecular weight of 432.00 g/mol.</description>
  <cas>476483-64-4</cas>
  <pubchem-id>4245186</pubchem-id>
  <chemical-formula>C26H26ClN3O</chemical-formula>
  <weight>432</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">2026-08-31T06:21:05Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:21:05Z</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>CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)Cl)N)C#N</moldb-smiles>
  <moldb-formula>C26H26ClN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C26H26ClN3O/c1-4-16-5-7-17(8-6-16)23-20(15-28)25(29)30(19-11-9-18(27)10-12-19)21-13-26(2,3)14-22(31)24(21)23/h5-12,23H,4,13-14,29H2,1-3H3</moldb-inchi>
  <moldb-inchikey>FXJBQYLWRIMUEM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">431.1764402</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM340307</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)-4-(4-ethylphenyl)-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>CED0294783</sync-id>
  <structure-inchikey>FXJBQYLWRIMUEM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000800000000000000044000000000000004080084100000000000002000220000000040000000001000000000000000001000000000000000000000000400000000100000000000020000020400000000000000001000000000200000080000000000000000000000000020108000000000000000000100000000048020080000000000000800000001080000000000000000000000021000004000000000000000000088000000000040000004000000100000000000000000000000200000000000000200000000012000000000000000220000000000110000040000000000040000200000000000000000000000000000000002000</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�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:43:44Z</structure-indexed-at>
</compound>
