312902 <common-name>2-ethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one</common-name> <description>2-ethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)quinazolin-4-one is a chemical compound with the formula C18H21N3O. It has an average molecular weight of 295.40 g/mol.</description> <cas nil="true"/> <pubchem-id>63432</pubchem-id> <chemical-formula>C18H21N3O</chemical-formula> <weight>295.4</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">2026-08-29T09:37:18Z</created-at> <updated-at type="dateTime">2026-08-29T09:37:18Z</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>CCC1=NC2=CC=CC=C2C(=O)N1CC#CCN3CCCC3</moldb-smiles> <moldb-formula>C18H21N3O</moldb-formula> <moldb-inchi>InChI=1S/C18H21N3O/c1-2-17-19-16-10-4-3-9-15(16)18(22)21(17)14-8-7-13-20-11-5-6-12-20/h3-4,9-10H,2,5-6,11-14H2,1H3</moldb-inchi> <moldb-inchikey>KJZHETTVKRVOHQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">295.1684623</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>CHEM308795</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>2-ethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)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>CED0263825</sync-id> <structure-inchikey>KJZHETTVKRVOHQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000100000000001000000000000000000000000000000000042000022000080000000002004000000000000000000000000000080100000000000000000000000040000000020000020000000000000000000000000000000200000000000000000000000000000020100000000000000000000000800000040000000804000000001000000000000000100020000000000000000000000000000000000040000080000000002000010000000008000000000000000000000040000000000000000000000000000008000000000000201000004010100000000000801000040000000000000000000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC AgZAKAAAAAMEB0AoAAAAAwMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQIACgAAAADAgdAKAAA AAMDBgBgAAAAAgIGACgAAAACBAYAKAAAAAIEBgBgAAAAAgIHACAAAAADBgBg AAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgILAAEAAQIAAgNoDAMEaAwE BWgMBQZoDAYHaAwHCGgMCAloDAkKaAwKCygCCgxoDAwNAA0OAA4PCAMPEAAQ EQAREgASEwATFAAUFQAMAmgMCQRoDBURAEIDAAAABgIMCgkEAwYFBgcICQQF EhEVFBMXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:45Z</structure-indexed-at> </compound>