304942 <common-name>8-fluoro-4-[2-[3-(trifluoromethyl)phenyl]ethoxy]quinazoline</common-name> <description>8-fluoro-4-[2-[3-(trifluoromethyl)phenyl]ethoxy]quinazoline belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. It has the formula C17H12F4N2O and an average molecular weight of 336.28 g/mol. This compound is further classified as an organoheterocyclic compound.</description> <cas>124428-57-5</cas> <pubchem-id>164167</pubchem-id> <chemical-formula>C17H12F4N2O</chemical-formula> <weight>336.28</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">2026-08-28T22:29:01Z</created-at> <updated-at type="dateTime">2026-08-28T22:29:01Z</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(=CC(=C1)C(F)(F)F)CCOC2=NC=NC3=C2C=CC=C3F</moldb-smiles> <moldb-formula>C17H12F4N2O</moldb-formula> <moldb-inchi>InChI=1S/C17H12F4N2O/c18-14-6-2-5-13-15(14)22-10-23-16(13)24-8-7-11-3-1-4-12(9-11)17(19,20)21/h1-6,9-10H,7-8H2</moldb-inchi> <moldb-inchikey>XANDTBFGPGDVSK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">336.0885757</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM300835</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>8-fluoro-4-[2-[3-(trifluoromethyl)phenyl]ethoxy]quinazoline</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>CED0256062</sync-id> <structure-inchikey>XANDTBFGPGDVSK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000008020008020000000000000000000000000000000000000000000000000000000000100000020000040000000000000000000004000000000000000000000000000000000000000000100000001100000000000000000020000000040000000000000001000002000000000000000000000000000000000810000002000008000000000000000000000000000000000000010000800000000000000000000200400800800000000400000010c0000000000000000200000000000040000000000000000000000000000000000000800000220000000000000200000008000000040000000000000800000000000000100000041000000</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">2026-09-19T05:13:50Z</structure-indexed-at> </compound>