7-[(3R)-3-(2-Amino-2-Propanyl)-1-Pyrrolidinyl]-9-Cyclopropyl-6-Fluoro-8-Methoxy[1,2]Thiazolo[5,4-B]Quinoline-3,4(2H,9H)-Dione

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Properties Simple | Detailed

Formula C21H34FN4O3S+
IUPAC Name 7-[(1r,3r)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-5h-isothiazolo[5,4-b]quinoline-3a,4a,5,6,7,8,8a,9a-octaide-3,4-dione
Molecular Mass 441.583 g·mol−1
Heat of Formation -308.5 ± 16.7 kJ·mol−1
Dipole Moment 10.10 ± 1.08 D
Volume 489.64 Å 3
Surface Area 396.1 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(3r)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-isothiazolo[5,4-b]quinoline-3,4-dione
  • 7-[(3r)-3-(1-amino-1-methyl-ethyl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-isothiazolo[5,4-b]quinoline-3,4-quinone
  • 7-[(3r)-3-(1-amino-1-methylethyl)-1-pyrrolidinyl]-9-cyclopropyl-6-fluoro-8-methoxyisothiazolo[5,4-b]quinoline-3,4-dione
  • 7-[(3r)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
InChIKey CECJUHKZSOSOJJ-SNVBAGLBSA-N
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