<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">311787</id>
  <title nil="true"/>
  <common-name>2-ethyl-3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4-one</common-name>
  <description>2-ethyl-3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4-one is a chemical compound with the formula C18H18N2O2. It has an average molecular weight of 294.30 g/mol.</description>
  <cas>27945-45-5</cas>
  <pubchem-id>63757</pubchem-id>
  <chemical-formula>C18H18N2O2</chemical-formula>
  <weight>294.3</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">2026-08-29T08:05:54Z</created-at>
  <updated-at type="dateTime">2026-08-29T08:05:54Z</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=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C(=C3)C)O)C</moldb-smiles>
  <moldb-formula>C18H18N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H18N2O2/c1-4-16-19-15-8-6-5-7-14(15)18(22)20(16)13-9-11(2)17(21)12(3)10-13/h5-10,21H,4H2,1-3H3</moldb-inchi>
  <moldb-inchikey>OLHQWYZJCYGQDW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">294.1368278</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM307680</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-ethyl-3-(4-hydroxy-3,5-dimethylphenyl)quinazolin-4-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>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0262733</sync-id>
  <structure-inchikey>OLHQWYZJCYGQDW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000100000000000000000000001200000000010000000000042000022000000000000002004000000080000000000000000000080100000000000000000000000000000000020000000000000000000000000000000000000010000000000000000100000000000000100000000000000000000000000000040000000804000000000000000000000000100000000000000000000100000000000000000040000080100000000000000000000000000000000000000000000040000002000000000000000040000000000002000000200000004000100000040000001000040000000000000000000000000000040000000000000</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-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:53Z</structure-indexed-at>
</compound>
