1-Cyclopropyl-6-Fluoro-7-[(1R,4R)-5-Methyl-2,5-Diazabicyclo[2.2.1]Hept-2-Yl]-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C19H29FN3O3+
IUPAC Name 1-cyclopropyl-6-fluoro-7-[(1r,2s,4r,5s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 366.450 g·mol−1
Heat of Formation -351.0 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 405.36 Å 3
Surface Area 343.07 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropyl-6-fluoro-4-keto-7-[(1r,4r)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]quinoline-3-carboxylic acid
  • 1-cyclopropyl-6-fluoro-7-[(1r,4r)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxo-3-quinolinecarboxylic acid
  • 1-cyclopropyl-6-fluoro-7-[(1r,4r)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-6-fluoro-7-[(1r,4r)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid
  • bb_sc-4835
InChIKey QMLVECGLEOSESV-VXGBXAGGSA-N
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