EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:126640 - [(1R,2aS,8bS)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-fluorophenyl)methanone

ChEBI IDCHEBI:126640
ChEBI Name[(1R,2aS,8bS)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-fluorophenyl)methanone
Stars
DownloadsMolfile
FormulaC19H19FN2O2
Net Charge0
Average Mass326.371
Monoisotopic Mass326.14306
SMILESCN1[C@@H]2CN(C(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO
InChIInChI=1S/C19H19FN2O2/c1-21-16-10-22(19(24)12-6-8-13(20)9-7-12)15-5-3-2-4-14(15)18(16)17(21)11-23/h2-9,16-18,23H,10-11H2,1H3/t16-,17+,18+/m1/s1
InChIKeyYJFOHBYNLUUPSE-SQNIBIBYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-fluorophenyl)methanone (CHEBI:126640) is a aminoquinoline (CHEBI:36709)
Manual XrefsDatabases
LSM-38203LINCS