<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">311624</id>
  <title nil="true"/>
  <common-name>3-(3-chlorophenyl)-1-[2-(dimethylamino)acetyl]-2h-quinazolin-4-one</common-name>
  <description>3-(3-chlorophenyl)-1-[2-(dimethylamino)acetyl]-2h-quinazolin-4-one is a chemical compound with the formula C18H18ClN3O2. It has an average molecular weight of 343.80 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>64025</pubchem-id>
  <chemical-formula>C18H18ClN3O2</chemical-formula>
  <weight>343.8</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">2026-08-29T07:55:50Z</created-at>
  <updated-at type="dateTime">2026-08-29T07:55:50Z</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>CN(C)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl</moldb-smiles>
  <moldb-formula>C18H18ClN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H18ClN3O2/c1-20(2)11-17(23)22-12-21(14-7-5-6-13(19)10-14)18(24)15-8-3-4-9-16(15)22/h3-10H,11-12H2,1-2H3</moldb-inchi>
  <moldb-inchikey>GANYPVBOBAWZOQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">343.1087545</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM307517</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>3-(3-chlorophenyl)-1-[2-(dimethylamino)acetyl]-2h-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>CED0262574</sync-id>
  <structure-inchikey>GANYPVBOBAWZOQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000000004000000000000800000000000000000000000200001000080000000000000000000000000000000000000000000000000004000000080000001000000280000000000000000000000000000000000000100000000000100001140000000000301000080000020800000400000010040400000008000000000000000001000000201000000000000000000000001000000000000000000000a1000000000000000004000010000000000000000000000000000000000000000010010000010000000000000000200000000010000020040000000000040000000000400000000000000000000000000000000</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���h���h���h���h������ ��h���h�B��������	�������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:45Z</structure-indexed-at>
</compound>
