325157 <common-name>4-[2-(3,5-dinitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid</common-name> <description>4-[2-(3,5-dinitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid is a chemical compound with the formula C21H12N4O7. It has an average molecular weight of 432.30 g/mol.</description> <cas nil="true"/> <pubchem-id>11980060</pubchem-id> <chemical-formula>C21H12N4O7</chemical-formula> <weight>432.3</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">2026-08-30T02:49:38Z</created-at> <updated-at type="dateTime">2026-08-30T02:49:38Z</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>C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)C(=O)O</moldb-smiles> <moldb-formula>C21H12N4O7</moldb-formula> <moldb-inchi>InChI=1S/C21H12N4O7/c26-20-17-3-1-2-4-18(17)22-19(23(20)14-7-5-12(6-8-14)21(27)28)13-9-15(24(29)30)11-16(10-13)25(31)32/h1-11H,(H,27,28)</moldb-inchi> <moldb-inchikey>WFHDSQVUNSOERH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">432.0705987</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM321050</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>4-[2-(3,5-dinitrophenyl)-4-oxoquinazolin-3-yl]benzoic acid</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>CED0275800</sync-id> <structure-inchikey>WFHDSQVUNSOERH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000300001000000000000000000000000004000000000000040000020000000100040002104000000000000000080400000000080000000000000000000000000000000000020000000000000001000000000400000000000010000000200000000100000000000000100000000000000000000000000000000000000804000000000200000800000001100000000000000000020000000000000000000040000084800000000000000000000000000000000000010000000040000002000000000000000000000004000002000000200000000000000400040000001000040000000000400000000001000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ���#���€��@h�������@h�������@h�������@(������@(������@h�������@(�������(������@(������@(������@(������@(������@h�������@(������@h�������@(������@h������� *��������(������ *���ÿ��� *��������(������ *���ÿ���@(������@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� �h���h���h�B�������������� ���� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:07Z</structure-indexed-at> </compound>