7-[(2S,4S)-4-Amino-2-Methyl-1-Pyrrolidinyl]-1-(2,4-Difluorophenyl)-6-Fluoro-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H18F3N4O3+
IUPAC Name 7-[(2s,4s)-4-amino-2-methyl-pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridin-1-ium-3-ide-3-carboxylic acid
Molecular Mass 419.377 g·mol−1
Heat of Formation -762.4 ± 16.7 kJ·mol−1
Dipole Moment 9.70 ± 1.08 D
Volume 450.76 Å 3
Surface Area 376.26 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 7-((2s,4s)-4-amino-2-methyl-pyrrolidin-1-yl)-1-(2,4-difluoro-phenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
  • 7-(4'-amino-2'-methylpyrrolidinyl)-1-(2,4-difluorophenyl)-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 7-[(2s,4s)-4-amino-2-methyl-1-pyrrolidinyl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 7-[(2s,4s)-4-amino-2-methyl-pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid
  • 7-[(2s,4s)-4-amino-2-methyl-pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • 7-[(2s,4s)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • a-65485
  • addnc
CAS Number(s)
  • 114676-84-5
InChIKey IHZWSSPWZKJJMD-ONGXEEELSA-N
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