283968 <common-name>3-butylquinazolin-4-one</common-name> <description>3-butylquinazolin-4-one belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the formula C12H14N2O and an average molecular weight of 202.25 g/mol.</description> <cas>16417-02-0</cas> <pubchem-id>63398</pubchem-id> <chemical-formula>C12H14N2O</chemical-formula> <weight>202.25</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">2026-08-27T19:34:42Z</created-at> <updated-at type="dateTime">2026-08-27T19:34:42Z</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>CCCCN1C=NC2=CC=CC=C2C1=O</moldb-smiles> <moldb-formula>C12H14N2O</moldb-formula> <moldb-inchi>InChI=1S/C12H14N2O/c1-2-3-8-14-9-13-11-7-5-4-6-10(11)12(14)15/h4-7,9H,2-3,8H2,1H3</moldb-inchi> <moldb-inchikey>ZZSCVVWJRCJHPA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">202.1106131</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</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>CHEM279861</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-butylquinazolin-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>CED0235868</sync-id> <structure-inchikey>ZZSCVVWJRCJHPA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000100000000000000000000000000004000000000000000042000020000020000000002000000000000000000000000000000080000000000000000000010000000004000020000000000000000000000000000000000020000000000000000000000000000000000900000000000000008000000000000040000000804000000000004000000000000100000000000000000000000000000000000000040001080000000000000000090000000000000000000000000000040000000000000000000000000000000000000000000200000000000000000000000000000040200000010000000000000000000200000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIHQCgAAAADAwZAaAAAAAMDAQdAKAAAAAMDBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgA AAADBAZAKAAAAAMECAAoAAAAAwILAAEAAQIAAgMAAwQABAVoDAUGaAwGB2gM BwhoDAgJaAwJCmgMCgtoDAsMaAwMDWgMDQ4oAg0EaAwMB2gMQgIAAAAGBA0M BwYFBggJCgsMBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:23Z</structure-indexed-at> </compound>