<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">299370</id>
  <title nil="true"/>
  <common-name>3-(2,4-dichlorophenyl)-2-(fluoromethyl)quinazolin-4-one</common-name>
  <description>3-(2,4-dichlorophenyl)-2-(fluoromethyl)quinazolin-4-one belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the chemical formula C15H9Cl2FN2O and an average molecular weight of 323.10 g/mol.</description>
  <cas>69123-68-8</cas>
  <pubchem-id>63265</pubchem-id>
  <chemical-formula>C15H9Cl2FN2O</chemical-formula>
  <weight>323.1</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">2026-08-28T15:54:15Z</created-at>
  <updated-at type="dateTime">2026-08-28T15:54:15Z</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>C1=CC=C2C(=C1)C(=O)N(C(=N2)CF)C3=C(C=C(C=C3)Cl)Cl</moldb-smiles>
  <moldb-formula>C15H9Cl2FN2O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H9Cl2FN2O/c16-9-5-6-13(11(17)7-9)20-14(8-18)19-12-4-2-1-3-10(12)15(20)21/h1-7H,8H2</moldb-inchi>
  <moldb-inchikey>LBIFFWRIQTXKFV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">322.0075965</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM295263</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-(2,4-dichlorophenyl)-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>CED0250685</sync-id>
  <structure-inchikey>LBIFFWRIQTXKFV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>810000100010000000000400000000000080000000000000000040000022000000000002002004000000000000000000010000000080100000000040400000000000000000000020000000000000000000000000000000000000000080000000000000100000000000000100100000000000000000000000000000000000804000000000000000000000000100400000010000000000000100000000000000040000080000000000000000000000000000000000000000000000040000002000000000000000000010000000000800000200000000000000000000000001000040000000001000800000000000000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000000912864080000b4001082120000014008505200000b720408204098c4c222815128000001108410800c0000004200026408d32010022e43002a1c010c7110c00168044100090100020720280080405f053211a3240041462502248000e2804270848020041402401c4142249240680708101c0047119284802510012004801084cf28208080602508a2c0008b91d88924400160b0420080020c000a080c310000010c00002000948017c2f100ac000008941084810a0621008c04230800012a404d0021305808020341512c005010000420050000d00020008000300121043100008020000000411d1122020001000309046800e4008100070100602</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@(�������(������@(������@(������@(�������`�����	� �����@(������@(������@h�������@(������@h�������@h�������� ������ �������h���h���h���h���h���h���(���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:09:43Z</structure-indexed-at>
</compound>
