CHEBI:127035 - 1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone

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ChEBI Name 1-[(1R,2aR,8bR)-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:127035
Stars This entity has been manually annotated by a third party.
Supplier Information
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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+/m0/s1
InChIKey DJGMPCRJWDHKNS-JENIJYKNSA-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 )
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ChEBI Ontology
Outgoing 1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone (CHEBI:127035) is a aminoquinoline (CHEBI:36709)
Manual Xref Database
LSM-38598 LINCS
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