<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334921</id>
  <title nil="true"/>
  <common-name>2-amino-1-(4-methylphenyl)-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>4147594</pubchem-id>
  <chemical-formula>C23H20N4O3</chemical-formula>
  <weight>400.4</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">2026-08-30T16:50:15Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:50:15Z</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(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CCC3</moldb-smiles>
  <moldb-formula>C23H20N4O3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H20N4O3/c1-14-8-10-16(11-9-14)26-19-6-3-7-20(28)22(19)21(18(13-24)23(26)25)15-4-2-5-17(12-15)27(29)30/h2,4-5,8-12,21H,3,6-7,25H2,1H3</moldb-inchi>
  <moldb-inchikey>LHGLFISNMLHGQY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">400.1535405</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM330814</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-methylphenyl)-4-(3-nitrophenyl)-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>CED0285397</sync-id>
  <structure-inchikey>LHGLFISNMLHGQY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000000000000000000000000000000004000005100000000000000000020000000000000000000000000000000000000000000000000000000000000000000000100000000000020001020400000001000000001400000000200000000000200000001100008000000020100000000000000000000100801000040000080800000000000800000001080001000000000000000000021000000000000000400000000089000000000040000004000000000000000000000000000000200000020000000200001000002000000002000200210000000000000400140000000000040000200000080000800001000000000001000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������!���€���`������@(������@h�������@h�������@(������@h�������@h��������(�������(�������(�������`�������(�������(�������h��������(�������(������@(������@h�������@(������@h�������@h�������@h������� *��������(������ *���ÿ����(�������(�������`�������`�������`�����������h���h���h���h���h��� �� �	(�	
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�������������	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:42Z</structure-indexed-at>
</compound>
