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1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid
SpectraBase Compound ID 1TQgwTOjs2q
InChI InChI=1S/C19H19F4N3O3/c1-9-7-25(5-4-24-9)16-13(20)6-11-15(14(16)19(21,22)23)26(10-2-3-10)8-12(17(11)27)18(28)29/h6,8-10,24H,2-5,7H2,1H3,(H,28,29)
InChIKey QMWGEAJFSCQHHS-UHFFFAOYSA-N
Mol Weight 413.37 g/mol
Molecular Formula C19H19F4N3O3
Exact Mass 413.136254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TRbliwjb4Z
Name 1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid
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Formula C19H19F4N3O3
InChI InChI=1S/C19H19F4N3O3/c1-9-7-25(5-4-24-9)16-13(20)6-11-15(14(16)19(21,22)23)26(10-2-3-10)8-12(17(11)27)18(28)29/h6,8-10,24H,2-5,7H2,1H3,(H,28,29)
InChIKey QMWGEAJFSCQHHS-UHFFFAOYSA-N
Molecular Weight 413.373 g/mol
SMILES N1CCN(c2c(cc3c(N(C=C(C(=O)O)C3=O)C3CC3)c2C(F)(F)F)F)CC1C
SPLASH splash10-0a4i-0009100000-81bd4fa9c63028df1423
Source of Spectrum F2-35-366-21
Synonyms 1-cyclopropyl-6-fluoro-4-keto-7-(3-methylpiperazino)-8-(trifluoromethyl)quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
Wiley ID 1574237