EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129305 - 1-[(3aR,4S,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone

ChEBI IDCHEBI:129305
ChEBI Name1-[(3aR,4S,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone
Stars
DownloadsMolfile
FormulaC22H25FN2O3
Net Charge0
Average Mass384.451
Monoisotopic Mass384.18492
SMILESCOCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@@H]2CO
InChIInChI=1S/C22H25FN2O3/c1-24-19-8-5-15(14-3-6-16(23)7-4-14)11-18(19)22-17(20(24)12-26)9-10-25(22)21(27)13-28-2/h3-8,11,17,20,22,26H,9-10,12-13H2,1-2H3/t17-,20+,22-/m0/s1
InChIKeyOWZWTDQWRCAHMI-WEYGHZABSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aR,4S,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone (CHEBI:129305) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-40856LINCS