CHEBI:128390 - 1-[(3aR,4R,9bR)-8-(2-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(3aR,4R,9bR)-8-(2-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone
ChEBI ID CHEBI:128390
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H24FN3O2
Net Charge 0
Average Mass 417.476
Monoisotopic Mass 417.18526
InChI InChI=1S/C25H24FN3O2/c26-21-4-2-1-3-18(21)17-5-6-22-20(14-17)25-19(23(15-30)28-22)9-12-29(25)24(31)13-16-7-10-27-11-8-16/h1-8,10-11,14,19,23,25,28,30H,9,12-13,15H2/t19-,23+,25-/m1/s1
InChIKey FYKRKSAHPADLCF-HFRGRHLUSA-N
SMILES C1CN([C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C4=CC=CC=C4F)CO)C(=O)CC5=CC=NC=C5
ChEBI Ontology
Outgoing 1-[(3aR,4R,9bR)-8-(2-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone (CHEBI:128390) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-39945 LINCS
View more database links