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1-Cyclopropyl-7-(4-ethanoyl-3-methyl-piperazin-1-yl)-6-fluoranyl-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid
SpectraBase Compound ID D6k553CIIsM
InChI InChI=1S/C21H24FN3O4/c1-11-9-23(6-7-24(11)13(3)26)17-8-16-18(12(2)19(17)22)20(27)15(21(28)29)10-25(16)14-4-5-14/h8,10-11,14H,4-7,9H2,1-3H3,(H,28,29)
InChIKey XRCAJKZEUYYFLV-UHFFFAOYSA-N
Mol Weight 401.44 g/mol
Molecular Formula C21H24FN3O4
Exact Mass 401.175084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F6dryPWgwo
Name 1-cyclopropyl-7-(4-ethanoyl-3-methyl-piperazin-1-yl)-6-fluoranyl-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24FN3O4
InChI InChI=1S/C21H24FN3O4/c1-11-9-23(6-7-24(11)13(3)26)17-8-16-18(12(2)19(17)22)20(27)15(21(28)29)10-25(16)14-4-5-14/h8,10-11,14H,4-7,9H2,1-3H3,(H,28,29)
InChIKey XRCAJKZEUYYFLV-UHFFFAOYSA-N
Molecular Weight 401.438 g/mol
SMILES OC(C=1C(c2c(c(F)c(cc2N(C1)C1CC1)N1CC(C)N(CC1)C(=O)C)C)=O)=O
SPLASH splash10-0006-9011200000-9682a777e6ca157db360
Source of Spectrum E1-43-2249-7
Synonyms 7-(4-acetyl-3-methyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-3-quinolinecarboxylic acid 7-(4-acetyl-3-methyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-quinoline-3-carboxylic acid 7-(4-acetyl-3-methyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-5-methyl-quinoline-3-carboxylic acid
Wiley ID 1553185