7-[(3R,4R)-3-Amino-4-Methyl-1-Pyrrolidinyl]-1-Cyclopropyl-6-Fluoro-8-Methyl-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C19H31FN3O3+
IUPAC Name 7-[(1s,3r,4r)-3-amino-4-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 368.466 g·mol−1
Heat of Formation -453.8 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 419.4 Å 3
Surface Area 349.23 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 3-apfqa
  • 3-quinolinecarboxylic acid, 7-(3-amino-4-methyl-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxo-, cis-
  • 7-(3-amino-4-methyl-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
  • 7-[(3r,4r)-3-amino-4-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid
  • 7-[(3r,4r)-3-amino-4-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid
  • 7-[(3r,4r)-3-amino-4-methyl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid
  • 7-[(3r,4r)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CAS Number(s)
  • 127966-63-6
InChIKey INNOJAOLWAIAQK-PSLIRLAXSA-N
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