CHEBI:129711 - 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone ChEBI ID CHEBI:129711 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 C20H25F3N2O3 Net Charge 0 Average Mass 398.420 Monoisotopic Mass 398.18173 InChI InChI=1S/C20H25F3N2O3/c21-20(22,23)9-18(27)25-11-16-19(14-3-1-2-4-15(14)25)17(12-26)24(16)10-13-5-7-28-8-6-13/h1-4,13,16-17,19,26H,5-12H2/t16-,17+,19+/m1/s1 InChIKey DJGMPCRJWDHKNS-AOIWGVFYSA-N SMILES C1COCCC1CN2[C@@H]3CN(C4=CC=CC=C4[C@@H]3[C@@H]2CO)C(=O)CC(F)(F)F 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,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone (CHEBI:129711) is a aminoquinoline (CHEBI:36709) Manual Xref Database LSM-41262 LINCS View more database links