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7-{4-[(1,3-Benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

View entire compound with spectra: 2 NMR

7-{4-[(1,3-Benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID 8c4chJWMlyr
InChI InChI=1S/C24H23FN4O5S/c1-2-27-12-16(23(31)32)22(30)15-10-17(25)19(11-18(15)27)28-5-7-29(8-6-28)24(35)26-14-3-4-20-21(9-14)34-13-33-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,26,35)(H,31,32)
InChIKey CEHCYCHNPNBEBY-UHFFFAOYSA-N
Mol Weight 498.53 g/mol
Molecular Formula C24H23FN4O5S
Exact Mass 498.137319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GptEiJZphi8
Name 7-{4-[(1,3-Benzodioxol-5-ylamino)carbothioyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.137319189 u
Formula C24H23FN4O5S
InChI InChI=1S/C24H23FN4O5S/c1-2-27-12-16(23(31)32)22(30)15-10-17(25)19(11-18(15)27)28-5-7-29(8-6-28)24(35)26-14-3-4-20-21(9-14)34-13-33-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,26,35)(H,31,32)
InChIKey CEHCYCHNPNBEBY-UHFFFAOYSA-N
Molecular Weight 498.529 g/mol
SMILES N(C(N1CCN(C=2C(=CC=3C(C(C(=O)O)=CN(C3C2)CC)=O)F)CC1)=S)C1=CC=2OCOC2C=C1