| Formula |
C21H23F3N4O3 |
| IUPAC Name |
5-amino-7-[(1s,3r,4s)-3-(1-aminocyclopropyl)-4-fluoro-pyrrolidin-1-yl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-8-methyl-4-oxo-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid |
| Molecular Mass |
436.428 g·mol−1 |
| Heat of Formation |
-723.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.59 ± 1.08 D |
| Volume |
480.64 Å 3 |
| Surface Area |
383.43 Å 2 |
| HOMO Energy |
-8.30 ± 0.55 eV |
| LUMO Energy |
2.34 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-quinolinecarboxylic acid, 5-amino-7-[(3r,4s)-3-(1-aminocyclopropyl)-4-fluoro-1-pyrrolidinyl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxo-
- 5-amino-7-[(3r,4s)-3-(1-aminocyclopropyl)-4-fluoro-1-pyrrolidinyl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid
- 5-amino-7-[(3r,4s)-3-(1-aminocyclopropyl)-4-fluoro-pyrrolidin-1-yl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-keto-8-methyl-quinoline-3-carboxylic acid
- 5-amino-7-[(3r,4s)-3-(1-aminocyclopropyl)-4-fluoro-pyrrolidin-1-yl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-8-methyl-4-oxo-quinoline-3-carboxylic acid
- 5-amino-7-[(3r,4s)-3-(1-aminocyclopropyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-1-[(1r,2s)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
- dq-113
|
| InChIKey |
QEYBPFUVEMVIQD-WUHRBBMRSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
|
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