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

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1-ethyl-6-fluoro-4-oxo-7-(4-{[(3-pyridinylcarbonyl)amino]carbothioyl}-1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID 9CsW7Ypdcdz
InChI InChI=1S/C23H22FN5O4S/c1-2-27-13-16(22(32)33)20(30)15-10-17(24)19(11-18(15)27)28-6-8-29(9-7-28)23(34)26-21(31)14-4-3-5-25-12-14/h3-5,10-13H,2,6-9H2,1H3,(H,32,33)(H,26,31,34)
InChIKey MVQBZPWHTMOUKJ-UHFFFAOYSA-N
Mol Weight 483.52 g/mol
Molecular Formula C23H22FN5O4S
Exact Mass 483.137654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8jjTaVgdIpA
Name 1-ethyl-6-fluoro-4-oxo-7-(4-{[(3-pyridinylcarbonyl)amino]carbothioyl}-1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H22FN5O4S/c1-2-27-13-16(22(32)33)20(30)15-10-17(24)19(11-18(15)27)28-6-8-29(9-7-28)23(34)26-21(31)14-4-3-5-25-12-14/h3-5,10-13H,2,6-9H2,1H3,(H,32,33)(H,26,31,34)
InChIKey MVQBZPWHTMOUKJ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5428
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8159148; UBI_ID: UBI-005430
Temperature 308 °C