EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128262 - (1R,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

ChEBI IDCHEBI:128262
ChEBI Name(1R,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
Stars
DownloadsMolfile
FormulaC21H24N4O3
Net Charge0
Average Mass380.448
Monoisotopic Mass380.18484
SMILESCCCNC(=O)N1[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3[C@@H]2[C@@H]1CO
InChIInChI=1S/C21H24N4O3/c1-2-9-23-21(28)25-17-12-24(20(27)14-6-5-10-22-11-14)16-8-4-3-7-15(16)19(17)18(25)13-26/h3-8,10-11,17-19,26H,2,9,12-13H2,1H3,(H,23,28)/t17-,18+,19+/m1/s1
InChIKeyXMFLVCCSIKQMGD-QYZOEREBSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2aS,8bS)-1-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-N-propyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide (CHEBI:128262) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-39817LINCS