| Formula |
C23H20F2N2O4 |
| IUPAC Name |
1-cyclopropyl-8-(difluoromethoxy)-7-[(1r)-1-methylisoindolin-2-ium-5-yl]-4-oxo-quinoline-3-carboxylate |
| Molecular Mass |
426.413 g·mol−1 |
| Heat of Formation |
-430.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
49.59 ± 1.08 D |
| Volume |
473.88 Å 3 |
| Surface Area |
384.03 Å 2 |
| HOMO Energy |
-6.89 ± 0.55 eV |
| LUMO Energy |
1.00 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-cyclopropyl-8-(difluoromethoxy)-4-keto-7-[(1r)-1-methylisoindolin-5-yl]quinoline-3-carboxylic acid
- 1-cyclopropyl-8-(difluoromethoxy)-7-[(1r)-(1-methyl-2,3-dihydro-1h-5-isoindolyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
- 1-cyclopropyl-8-(difluoromethoxy)-7-[(1r)-1-methyl-2,3-dihydro-1h-isoindol-5-yl]-4-oxo-quinoline-3-carboxylic acid
- 1-cyclopropyl-8-(difluoromethoxy)-7-[(1r)-1-methyl-2,3-dihydro-1h-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid
- 1-cyclopropyl-8-(difluoromethoxy)-7-[(1r)-1-methyl-5-isoindolinyl]-4-oxo-3-quinolinecarboxylic acid
- 1-cyclopropyl-8-(difluoromethoxy)-7-[(1r)-1-methylisoindolin-5-yl]-4-oxo-quinoline-3-carboxylic acid
- 223652-82-2 (mesylate salt)
- bms 284756 (*mesylate salt*)
- bms-284756 (*mesylate salt*)
- t 3811
- t-3811mea
|
| InChIKey |
NJDRXTDGYFKORP-LLVKDONJSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
N
O
F
|
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