<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339238</id>
  <title nil="true"/>
  <common-name>6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2h-pyridin-1-yl]butanoyl]-3,4-dihydro-1h-quinolin-2-one</common-name>
  <description>6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2h-pyridin-1-yl]butanoyl]-3,4-dihydro-1h-quinolin-2-one is a chemical compound with the formula C24H25ClN2O2. It has an average molecular weight of 408.90 g/mol.</description>
  <cas>80834-72-6</cas>
  <pubchem-id>3067099</pubchem-id>
  <chemical-formula>C24H25ClN2O2</chemical-formula>
  <weight>408.9</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">2026-08-30T22:30:46Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:30:46Z</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>C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCCN3CCC(=CC3)C4=CC=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C24H25ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H25ClN2O2/c25-21-7-3-17(4-8-21)18-11-14-27(15-12-18)13-1-2-23(28)20-5-9-22-19(16-20)6-10-24(29)26-22/h3-5,7-9,11,16H,1-2,6,10,12-15H2,(H,26,29)</moldb-inchi>
  <moldb-inchikey>KRMCFJTYRPOAEG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">408.1604557</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM335131</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>6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2h-pyridin-1-yl]butanoyl]-3,4-dihydro-1h-quinolin-2-one</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>Quinolones and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289660</sync-id>
  <structure-inchikey>KRMCFJTYRPOAEG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20800000000000000000000000000000000080000000000000000000800020000000000000000000000000000040000001000000000000000000000000404000000000000000040024000001000000000000000000000000000000010080000000000000100000800000020100000000000008000000000000000028020000000000200000004000800000000000000000080000000000000000000000040000000000084020000000000000100000008000000000020008400008010000000000000000020000400010044000000000200200000004010000000100000000000040000000010400000000000000020004000000000004</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�	
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��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:47Z</structure-indexed-at>
</compound>
