<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">331385</id>
  <title nil="true"/>
  <common-name>3-(3-chloro-2-methylphenyl)-2-(2-piperidin-1-ylethyl)quinazolin-4-one</common-name>
  <description>3-(3-chloro-2-methylphenyl)-2-(2-piperidin-1-ylethyl)quinazolin-4-one is a compound with the formula C22H24ClN3O. It has an average molecular weight of 381.90 g/mol.</description>
  <cas>1897-92-3</cas>
  <pubchem-id>63373</pubchem-id>
  <chemical-formula>C22H24ClN3O</chemical-formula>
  <weight>381.9</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">2026-08-30T12:10:57Z</created-at>
  <updated-at type="dateTime">2026-08-30T12:10:57Z</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=C(C=CC=C1Cl)N2C(=NC3=CC=CC=C3C2=O)CCN4CCCCC4</moldb-smiles>
  <moldb-formula>C22H24ClN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C22H24ClN3O/c1-16-18(23)9-7-11-20(16)26-21(12-15-25-13-5-2-6-14-25)24-19-10-4-3-8-17(19)22(26)27/h3-4,7-11H,2,5-6,12-15H2,1H3</moldb-inchi>
  <moldb-inchikey>VRWJGKQWXVIGEE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">381.1607901</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM327278</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-chloro-2-methylphenyl)-2-(2-piperidin-1-ylethyl)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>CED0281921</sync-id>
  <structure-inchikey>VRWJGKQWXVIGEE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000080000010000000000000000000000000002000000008000000006000002200000000000200200400000000000000000001004000008010000000000040000000000000000000002000000000000000000000000000000000000000000000000000000400000000000002010000000002000000000000080100004000000080400000000000400000000000010000000000100000000000010000000000000004000008000000000200000000000000a000008000000000000000040000202000000000010000000010000000002000000200000000010000000000000001000040000000000000000000000000000042000000000000</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">2026-09-19T05:33:52Z</structure-indexed-at>
</compound>
