307132 <common-name>3-[[(2-methylanilino)methylamino]methyl]quinazolin-4-one</common-name> <description>3-[[(2-methylanilino)methylamino]methyl]quinazolin-4-one belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the chemical formula C17H18N4O and an average molecular weight of 294.35 g/mol.</description> <cas nil="true"/> <pubchem-id>63166</pubchem-id> <chemical-formula>C17H18N4O</chemical-formula> <weight>294.35</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">2026-08-29T01:06:54Z</created-at> <updated-at type="dateTime">2026-08-29T01:06:54Z</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=CC=CC=C1NCNCN2C=NC3=CC=CC=C3C2=O</moldb-smiles> <moldb-formula>C17H18N4O</moldb-formula> <moldb-inchi>InChI=1S/C17H18N4O/c1-13-6-2-4-8-15(13)19-10-18-11-21-12-20-16-9-5-3-7-14(16)17(21)22/h2-9,12,18-19H,10-11H2,1H3</moldb-inchi> <moldb-inchikey>FRYCZSJYHYFAIH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">294.1480612</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM303025</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-methylanilino)methylamino]methyl]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>CED0258184</sync-id> <structure-inchikey>FRYCZSJYHYFAIH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000001000000000000000000000000000004000000000000000e00000200000200000000020000000000000000000000000000000800000000000000000000000000000040000202000000000000000008000000000000000000000000000000000000000000000000009000000000000000188000000000000c0000000804000000000000080000000000100000080000000000000000000000000000000040001080100000080000000090000000000000000000000000000040000000000000000000000000000008000002000000200000000000000000000000000000040000000000000000000000000000011000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BwBoAAAAAwIBBgBgAAAAAgIHAGAAAAACAQYAYAAAAAICB0AoAAAAAwMGQGgA AAADAwEHQCgAAAADAwZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAgAKAAAAAMCCwABAAECaAwC A2gMAwRoDAQFaAwFBmgMBgcgBwgACAkACQoACgsACwxoDAwNaAwNDmgMDg9o DA8QaAwQEWgMERJoDBITaAwTFGgMFBUoAgYBaAwUC2gMEw5oDEIDAAAABgEG BQQDAgYMDQ4TFAsGDxAREhMOFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:24Z</structure-indexed-at> </compound>