EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45675 - 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM

Default Structure
ChEBI IDCHEBI:45675
ChEBI Name8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H47N5O2
Net Charge0
Average Mass509.739
Monoisotopic Mass509.37298
SMILES[H]C1=C(N([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C4([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])c2c([H])c([H])c([H])c(OC([H])([H])[H])c2N(C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C30H47N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-6,17,21-25,31-32H,7-16,18-20H2,1-3H3,(H,33,36)/t21-,22-,23-,24-
InChIKeyLXOIZJXCTNTVJO-ZWGSZDQZSA-N
ChEBI Ontology
Outgoing Relation(s)
8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM (CHEBI:45675) is a unclassifieds (CHEBI:27189)
Synonyms  Source
8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUMPDBeChem
cis-4-[(8-methoxy-1-methyl-1,2-dihydroquinolin-4-yl)amino]-N-{trans-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamidePDBeChem
Manual XrefsDatabases
SN9PDBeChem