<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">311083</id>
  <title nil="true"/>
  <common-name>2-(2-ethoxy-3-methylphenyl)-4-oxo-3h-quinazoline-6-carboxylic acid</common-name>
  <description>2-(2-ethoxy-3-methylphenyl)-4-oxo-3h-quinazoline-6-carboxylic acid is a chemical compound with the formula C18H16N2O4. It has an average molecular weight of 324.30 g/mol.</description>
  <cas>68274-56-6</cas>
  <pubchem-id>135417409</pubchem-id>
  <chemical-formula>C18H16N2O4</chemical-formula>
  <weight>324.3</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">2026-08-29T06:59:33Z</created-at>
  <updated-at type="dateTime">2026-08-29T06:59:33Z</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>CCOC1=C(C=CC=C1C2=NC3=C(C=C(C=C3)C(=O)O)C(=O)N2)C</moldb-smiles>
  <moldb-formula>C18H16N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C18H16N2O4/c1-3-24-15-10(2)5-4-6-12(15)16-19-14-8-7-11(18(22)23)9-13(14)17(21)20-16/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)</moldb-inchi>
  <moldb-inchikey>OEIAFUYILCEEAR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">324.111007</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</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>CHEM306976</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-(2-ethoxy-3-methylphenyl)-4-oxo-3h-quinazoline-6-carboxylic acid</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>CED0262045</sync-id>
  <structure-inchikey>OEIAFUYILCEEAR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000200400000000000002000020000400009000002004000000000000000080000000000000000000000000000000000000000000000020000000000100000000000002000000080000010000000000000000100000000000010000000040000080000000000001000040000000804000200000200000000000000000000000020040000000000000000000000000040000084100000000000000080000000000000000000000000004000000000044000000000000400800004000002000004200000000000000080000000001000040000000000400000000000000000001000000200000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(������@(������@(������@h�������@h�������@h�������@(������@(������@(������@(������@(������@h�������@(������@h�������@h��������(�������(�������h�������@(�������(������@8��������`�������������� ��h���h���h���h���h��	 	
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����	����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:19Z</structure-indexed-at>
</compound>
