<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">73864</id>
  <title nil="true"/>
  <common-name>7-Methyl-2-quinolone</common-name>
  <description nil="true"/>
  <cas>4053-35-4</cas>
  <pubchem-id>77673</pubchem-id>
  <chemical-formula>C10H9N1O1</chemical-formula>
  <weight>159.18</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">2026-04-04T00:42:32Z</created-at>
  <updated-at type="dateTime">2026-08-18T06:51:03Z</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=C1)C=CC(=O)N2</moldb-smiles>
  <moldb-formula>C10H9N1O1</moldb-formula>
  <moldb-inchi>InChI=1S/C10H9NO/c1-7-2-3-8-4-5-10(12)11-9(8)6-7/h2-6H,1H3,(H,11,12)</moldb-inchi>
  <moldb-inchikey>QLVPBCMPYVAWEW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">159.188</moldb-average-mass>
  <moldb-mono-mass type="decimal">159.068414</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>70074</chemspider-id>
  <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>CHEM069757</chemdb-id>
  <dsstox-id>DTXSID00193562</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00030809</susdat-id>
  <iupac>7-methyl-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">0</paper-count>
  <sync-id>CED0135559</sync-id>
  <structure-inchikey>QLVPBCMPYVAWEW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000100000000000000000000100000001000000000000010000020000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000100000000000020000000000000000000004000000000040000000000000200000001000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000010000000000000000000200000002000004200000000000000000100000001000040000000000000000000000001000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`������@(������@h�������@(������@(������@h�������@h�������@h�������@h�������@(�������(������@8������������h���h���h���h���h���h���h��	h�	
(�	�h���h���h�B��������������	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:22:29Z</structure-indexed-at>
</compound>
