Formula |
C19H18ClF2N3O3 |
IUPAC Name |
7-[(5s,7s)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid |
Molecular Mass |
409.814 g·mol−1 |
Heat of Formation |
-230.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
41.81 ± 1.08 D |
Volume |
439.41 Å 3 |
Surface Area |
359.03 Å 2 |
HOMO Energy |
-7.16 ± 0.55 eV |
LUMO Energy |
-1.88 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 127254-10-8(acetate)
- 163253-36-9 (hemihydrate)
- 163253-37-0 (monohydrate)
- 3-quinolinecarboxylic acid, 7-[(7s)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-
- 7-((7s)-7-amino-5-azaspiro[2.4]hept-5-yl)-1-((1s,2s)-2-fluorocyclopropyl)-8-chloro-6-fluoro-4-oxohydroquinoline-3-carboxylic acid
- 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-keto-quinoline-3-carboxylic acid
- 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-3-quinolinecarboxylic acid
- 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-quinoline-3-carboxylic acid
- 7-[(4s)-4-amino-6-azaspiro[2.4]heptan-6-yl]-8-chloro-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
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InChIKey |
PNUZDKCDAWUEGK-CYZMBNFOSA-N |
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Elements |
C
F
H
Cl
O
N
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