EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:150005 - CDN1163

ChEBI IDCHEBI:150005
ChEBI NameCDN1163
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca2+-ATPase (SERCA).
Last Modified23 May 2020
Submittersabrina, zfin
DownloadsMolfile
FormulaC20H20N2O2
Net Charge0
Average Mass320.392
Monoisotopic Mass320.15248
SMILESCc1ccc2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2n1
InChIInChI=1S/C20H20N2O2/c1-13(2)24-17-11-9-16(10-12-17)20(23)22-18-6-4-5-15-8-7-14(3)21-19(15)18/h4-13H,1-3H3,(H,22,23)
InChIKeyGVGVYDCVFBGALZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
SERCA activator  Any compound that activates Sarcoplasmic/Endoplasmic Reticulum Calcium-ATPase (EC 7.2.2.10).
ChEBI Ontology
Outgoing Relation(s)
CDN1163 (CHEBI:150005) has role SERCA activator (CHEBI:150006)
CDN1163 (CHEBI:150005) is a aromatic ether (CHEBI:35618)
CDN1163 (CHEBI:150005) is a quinolines (CHEBI:26513)
CDN1163 (CHEBI:150005) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-(2-methylquinolin-8-yl)-4-(propan-2-yloxy)benzamide
Synonyms  Source
4-(1-methylethoxy)-N-(2-methyl-8-quinolinyl)-benzamideSUBMITTER
CDN 1163ChEBI
CDN-1163ChEBI
Registry NumbersSources
CAS:892711-75-0SUBMITTER
Citations