EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44446 - 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE

Default Structure
ChEBI IDCHEBI:44446
ChEBI Name1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H18FN3O4S
Net Charge0
Average Mass427.457
Monoisotopic Mass427.10021
SMILES[H]Oc1c(C2=Nc3c([H])c([H])c([H])c([H])c3S(=O)(=O)N2[H])c(=O)n(C([H])([H])C([H])([H])C2([H])C([H])([H])C2([H])[H])c2c([H])c([H])c(F)c([H])c12
InChIInChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
InChIKeyQEMCDXCXSVPAAB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE (CHEBI:44446) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-(2-cyclopropylethyl)-3-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2(1H)-onePDBeChem
1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONEPDBeChem
Manual XrefsDatabases
NN2PDBeChem