EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80688 - Quinidinone

ChEBI IDCHEBI:80688
ChEBI NameQuinidinone
Stars
DownloadsMolfile
FormulaC20H22N2O2
Net Charge0
Average Mass322.408
Monoisotopic Mass322.16813
SMILESC=C[C@H]1CN2CCC1CC2C(=O)c1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14?,19?/m0/s1
InChIKeySRFCUPVBYYAMIL-CDJWAVJASA-N
ChEBI Ontology
Outgoing Relation(s)
Quinidinone (CHEBI:80688) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
C16728KEGG COMPOUND