9-Cyclopropyl-6,8-Difluoro-7-(1-Piperazinyl)[1,2]Thiazolo[5,4-B]Quinoline-3,4(2H,9H)-Dione

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Properties Simple | Detailed

Formula C17H16F2N4O2S
IUPAC Name 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-isothiazolo[5,4-b]quinoline-3,4-dione
Molecular Mass 378.396 g·mol−1
Heat of Formation -260.5 ± 16.7 kJ·mol−1
Dipole Moment 9.70 ± 1.08 D
Volume 397.73 Å 3
Surface Area 340.18 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 9-cyclopropyl-6,8-difluoro-7-(1-piperazinyl)isothiazolo[5,4-b]quinoline-3,4-dione
  • 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
  • 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-isothiazolo[5,4-b]quinoline-3,4-dione
  • 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-isothiazolo[5,4-b]quinoline-3,4-quinone
  • a 65281
  • a-65281
  • isothiazolo(5,4-b)quinoline-3,4(2h,9h)-dione, 9-cyclopropyl-6,8-difluoro-7-(1-piperazinyl)-
CAS Number(s)
  • 111279-49-3
InChIKey DMWIKVPTLPZXQB-UHFFFAOYSA-N
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