EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128264 - (1S,2aS,8bS)-N-(4-chlorophenyl)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

ChEBI IDCHEBI:128264
ChEBI Name(1S,2aS,8bS)-N-(4-chlorophenyl)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
Stars
DownloadsMolfile
FormulaC22H22ClN3O3
Net Charge0
Average Mass411.889
Monoisotopic Mass411.13497
SMILESO=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1
InChIInChI=1S/C22H22ClN3O3/c23-14-7-9-15(10-8-14)24-22(29)25-11-18-20(16-3-1-2-4-17(16)25)19(12-27)26(18)21(28)13-5-6-13/h1-4,7-10,13,18-20,27H,5-6,11-12H2,(H,24,29)/t18-,19-,20+/m1/s1
InChIKeyGOAOGPBEIKPTBG-AQNXPRMDSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,2aS,8bS)-N-(4-chlorophenyl)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide (CHEBI:128264) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-39819LINCS