For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-quinolinecarboxamide, 7-(4-acetyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-4-oxo-

View entire compound with spectra: 2 NMR

3-quinolinecarboxamide, 7-(4-acetyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-4-oxo-
SpectraBase Compound ID Cy4HaF57HpX
InChI InChI=1S/C24H27FN6O3S/c1-13(2)23-27-28-24(35-23)26-22(34)17-12-31(15-4-5-15)19-11-20(18(25)10-16(19)21(17)33)30-8-6-29(7-9-30)14(3)32/h10-13,15H,4-9H2,1-3H3,(H,26,28,34)
InChIKey ZKCJWKXRCWVHRU-UHFFFAOYSA-N
Mol Weight 498.58 g/mol
Molecular Formula C24H27FN6O3S
Exact Mass 498.184938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EoOwtjiP4ur
Name 3-Quinolinecarboxamide, 7-(4-acetyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-4-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.184938087 u
Formula C24H27FN6O3S
InChI InChI=1S/C24H27FN6O3S/c1-13(2)23-27-28-24(35-23)26-22(34)17-12-31(15-4-5-15)19-11-20(18(25)10-16(19)21(17)33)30-8-6-29(7-9-30)14(3)32/h10-13,15H,4-9H2,1-3H3,(H,26,28,34)
InChIKey ZKCJWKXRCWVHRU-UHFFFAOYSA-N
Molecular Weight 498.577 g/mol
SMILES N(C=1SC(C(C)C)=NN1)C(C=1C(C2=CC(F)=C(C=C2N(C1)C1CC1)N1CCN(CC1)C(=O)C)=O)=O