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CHEBI:47051 - 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE

Default Structure
ChEBI IDCHEBI:47051
ChEBI Name4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE
Stars
DownloadsMolfile
FormulaC23H22ClN5O
Net Charge0
Average Mass419.916
Monoisotopic Mass419.15129
SMILES[H]c1c([H])c([H])c2c(nc(-c3c(N([H])[C@]4([H])C([H])([H])N5C([H])([H])C([H])([H])C4([H])C([H])([H])C5([H])[H])c4c([H])c(Cl)c([H])c([H])c4n([H])c3=O)n2[H])c1[H]
InChIInChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1
InChIKeyMOVBBVMDHIRCTG-LJQANCHMSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE (CHEBI:47051) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[(3S)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloroquinolin-2(1H)-onePDBeChem
4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONEPDBeChem
Manual XrefsDatabases
12CPDBeChem