299858 <common-name>3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one</common-name> <description>3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the chemical formula C16H12ClFN2O and an average molecular weight of 302.73 g/mol.</description> <cas>49700-31-4</cas> <pubchem-id>64066</pubchem-id> <chemical-formula>C16H12ClFN2O</chemical-formula> <weight>302.73</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">2026-08-28T16:32:18Z</created-at> <updated-at type="dateTime">2026-08-28T16:32:18Z</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)CF</moldb-smiles> <moldb-formula>C16H12ClFN2O</moldb-formula> <moldb-inchi>InChI=1S/C16H12ClFN2O/c1-10-12(17)6-4-8-14(10)20-15(9-18)19-13-7-3-2-5-11(13)16(20)21/h2-8H,9H2,1H3</moldb-inchi> <moldb-inchikey>WVXKNJCOURJHDJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">302.0622189</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM295751</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-(fluoromethyl)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>CED0251144</sync-id> <structure-inchikey>WVXKNJCOURJHDJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>810000100010000000000000000000000000000000080000000040000022000000000002002004000000000000000000010040000080100000000040400000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000100000000020000000000000001000040000000804000000000000000000000000100000000010000000000000100000000000000040000080000000000000000000000000000008000000000000000040000202000000000010000000010000000002000000200000000000000000000000001000040000000000000800000000000000040000000000000</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�B������������ ������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:06Z</structure-indexed-at> </compound>