CHEBI:125876 - 1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
ChEBI ID CHEBI:125876
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24N2O3
Net Charge 0
Average Mass 352.428
Monoisotopic Mass 352.17869
InChI InChI=1S/C21H24N2O3/c1-26-14-20(25)23-12-18-21(16-9-5-6-10-17(16)23)19(13-24)22(18)11-15-7-3-2-4-8-15/h2-10,18-19,21,24H,11-14H2,1H3/t18-,19-,21+/m0/s1
InChIKey MGHMIPQLSFYHQM-IRFCIJBXSA-N
SMILES COCC(=O)N1C[C@H]2[C@H]([C@@H](N2CC3=CC=CC=C3)CO)C4=CC=CC=C41
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2-(phenylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone (CHEBI:125876) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-37443 LINCS
View more database links