345880 <common-name>3-[n-[(3,4-dihydroxyphenyl)methyl]anilino]-8-iodo-2-phenylquinazolin-4-one</common-name> <description>3-[n-[(3,4-dihydroxyphenyl)methyl]anilino]-8-iodo-2-phenylquinazolin-4-one is a chemical compound with the formula C27H20IN3O3. With an average molecular weight of 561.40 g/mol, 3-[n-[(3,4-dihydroxyphenyl)methyl]anilino]-8-iodo-2-phenylquinazolin-4-one is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>63510</pubchem-id> <chemical-formula>C27H20IN3O3</chemical-formula> <weight>561.4</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">2026-08-31T08:54:09Z</created-at> <updated-at type="dateTime">2026-08-31T08:54:09Z</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=C(C=C1)C2=NC3=C(C=CC=C3I)C(=O)N2N(CC4=CC(=C(C=C4)O)O)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C27H20IN3O3</moldb-formula> <moldb-inchi>InChI=1S/C27H20IN3O3/c28-22-13-7-12-21-25(22)29-26(19-8-3-1-4-9-19)31(27(21)34)30(20-10-5-2-6-11-20)17-18-14-15-23(32)24(33)16-18/h1-16,32-33H,17H2</moldb-inchi> <moldb-inchikey>JAKOWYDDKDOSDR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">561.05494</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6</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>CHEM341773</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-[n-[(3,4-dihydroxyphenyl)methyl]anilino]-8-iodo-2-phenylquinazolin-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>CED0296234</sync-id> <structure-inchikey>JAKOWYDDKDOSDR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000020000800000000000000000000000000040000000000000000000000080000230000000000000002004000000000000000000000000200090000000000000000002040000000000000820040000000000080000008000000000000000030000000000000000104000000000000100100000000000000000000001000000000000808000000000000000800000000100000000000000000000040000000020000000040000080000000000000000000000100000000000000000040000040000002100000000000010000000000000002800000220000000000000000000400001000040000000200100000000000000004000400000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJgAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAAD BAdAKAAAAAMDBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAKAAAAAMENQAgAAAAAQZAKAAAAAMECAAoAAAAAwIHQCgAAAAD AwcAKAAAAAMDBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEIAGgAAAADAQEIAGgAAAADAQEGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQsAAWgMAQJoDAIDaAwDBGgMBAVoDAMGIAYHaAwHCGgMCAloDAkKaAwK C2gMCwxoDAwNaAwNDgAJD2gMDxAoAg8RaAwREiASEwATFAAUFWgMFRZoDBYX aAwXGGgMGBloDBcaIBYbIBIcIBwdaAwdHmgMHh9oDB8gaAwgIWgMBQBoDBEG aAwNCGgMGRRoDCEcaAxCBQAAAAYABQQDAgEGBwgJDxEGBgoLDA0ICQYVFhcY GRQGHR4fICEcFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:44:47Z</structure-indexed-at> </compound>