316772 <common-name>3-[(4-tert-butylphenyl)methyl]-7-chloroquinazolin-4-one</common-name> <description>3-[(4-tert-butylphenyl)methyl]-7-chloroquinazolin-4-one is a chemical compound with the formula C19H19ClN2O. It has an average molecular weight of 326.80 g/mol.</description> <cas>853318-63-5</cas> <pubchem-id>24212694</pubchem-id> <chemical-formula>C19H19ClN2O</chemical-formula> <weight>326.8</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">2026-08-29T14:35:38Z</created-at> <updated-at type="dateTime">2026-08-29T14:35:38Z</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>CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=CC(=C3)Cl</moldb-smiles> <moldb-formula>C19H19ClN2O</moldb-formula> <moldb-inchi>InChI=1S/C19H19ClN2O/c1-19(2,3)14-6-4-13(5-7-14)11-22-12-21-17-10-15(20)8-9-16(17)18(22)23/h4-10,12H,11H2,1-3H3</moldb-inchi> <moldb-inchikey>MJKDTFHKZGBLML-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">326.1185909</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM312665</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-[(4-tert-butylphenyl)methyl]-7-chloroquinazolin-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>CED0267604</sync-id> <structure-inchikey>MJKDTFHKZGBLML-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000008000001020000000000004000000000000800000000000000000000002200000200000000020008000000000000000000000000000800000000000004000000000000000000000200000400000000000000000000000000000000000800000000000001000000000000009000000000000000080000000000000400000000040000000000000000000000000000000000000000000000000000000000010000400010800000000400000000900000100000020000000000008000000000000000000000000004000100000000000040002200400000000000000000000000000c0000000000000000000000000000000000000000000</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���h���h���� �h���h���h�B������ ������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:46Z</structure-indexed-at> </compound>