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CHEBI:156323 - 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide

ChEBI IDCHEBI:156323
ChEBI Name1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide
Stars
ASCII Name1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid with the primary amino group of 5-(4-aminophenyl)-1,3,4-oxadiazole-2(3H)-thione.
Last Modified25 August 2020
DownloadsMolfile
FormulaC25H23FN6O3S
Net Charge0
Average Mass506.563
Monoisotopic Mass506.15364
SMILESO=C(Nc1ccc(-c2nnc(=S)o2)cc1)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C25H23FN6O3S/c26-19-11-17-20(12-21(19)31-9-7-27-8-10-31)32(16-5-6-16)13-18(22(17)33)23(34)28-15-3-1-14(2-4-15)24-29-30-25(36)35-24/h1-4,11-13,16,27H,5-10H2,(H,28,34)(H,30,36)
InChIKeyLRRQWIPDTKWZCZ-UHFFFAOYSA-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)
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide (CHEBI:156323) is a cyclopropanes (CHEBI:51454)
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide (CHEBI:156323) is a organofluorine compound (CHEBI:37143)
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide (CHEBI:156323) is a piperazines (CHEBI:26144)
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide (CHEBI:156323) is a quinolone (CHEBI:23765)
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide (CHEBI:156323) is a secondary amino compound (CHEBI:50995)
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide (CHEBI:156323) is a secondary carboxamide (CHEBI:140325)
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide (CHEBI:156323) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-[4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-1,4-dihydroquinoline-3-carboxamide
Synonym  Source
50860ChEBI