CHEBI:128054 - [(1S,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name [(1S,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone ChEBI ID CHEBI:128054 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H23N3O4 Net Charge 0 Average Mass 429.469 Monoisotopic Mass 429.16886 InChI InChI=1S/C25H23N3O4/c29-14-21-24-18-5-1-2-6-19(18)28(25(30)17-4-3-9-26-11-17)13-20(24)27(21)12-16-7-8-22-23(10-16)32-15-31-22/h1-11,20-21,24,29H,12-15H2/t20-,21-,24+/m1/s1 InChIKey QWGDRFXXSCWPEX-LGVFNWMJSA-N SMILES C1[C@@H]2[C@@H]([C@H](N2CC3=CC4=C(C=C3)OCO4)CO)C5=CC=CC=C5N1C(=O)C6=CN=CC=C6 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 [(1S,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone (CHEBI:128054) is a aminoquinoline (CHEBI:36709) Manual Xref Database LSM-39610 LINCS View more database links