EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:120585 - N-[2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide

ChEBI IDCHEBI:120585
ChEBI NameN-[2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
Stars
DownloadsMolfile
FormulaC33H32FN3O4
Net Charge0
Average Mass553.634
Monoisotopic Mass553.23768
SMILESO=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C33H32FN3O4/c34-26-12-8-22(9-13-26)21-37(33(39)25-11-15-29-30(20-25)41-18-17-40-29)31(32(38)36-27-6-2-1-3-7-27)24-10-14-28-23(19-24)5-4-16-35-28/h4-5,8-16,19-20,27,31H,1-3,6-7,17-18,21H2,(H,36,38)
InChIKeySOTNVBWCONYPHY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide (CHEBI:120585) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-32028LINCS