<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344307</id>
  <title nil="true"/>
  <common-name>4-[3-[(4-fluorophenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>24212633</pubchem-id>
  <chemical-formula>C26H25FN2O2</chemical-formula>
  <weight>416.5</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">2026-08-31T06:11:37Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:11:37Z</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=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F)C#N</moldb-smiles>
  <moldb-formula>C26H25FN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H25FN2O2/c1-16-21(14-28)24(25-22(29-16)12-26(2,3)13-23(25)30)18-5-4-6-20(11-18)31-15-17-7-9-19(27)10-8-17/h4-11,24,29H,12-13,15H2,1-3H3</moldb-inchi>
  <moldb-inchikey>KJAOEGAPIWNLLZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">416.1900062</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM340200</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>4-[3-[(4-fluorophenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-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>CED0294679</sync-id>
  <structure-inchikey>KJAOEGAPIWNLLZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80200010000000000400000000000000000000010000c000000000000220200000000000000001000000000000000000000000000040000000000000200000000100000000000022000020000110000000000041000000000200000000000000000001100000000010020008000000000000000000100001000048000000800000200000800000001000000000000000000000000021000004000000000000000000088200002000040000080000000100040000000000000000000200000000000080001001020000000000002000000220000000000000000000000008000040000000000000800000000000000000000000000020</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`�������(�������(�������`�������(�������(�������h��������`������� ������`�������(�������(�������`�������`������@(������@h�������@(������@h�������@h�������@h��������(�������`������@(������@h�������@h�������@(������@h�������@h������	� ������(�������(�����������(���������(��� �������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:43:37Z</structure-indexed-at>
</compound>
