7-[4-(Phenylsulfonyl)Butoxy]-1,3-Dihydro-2H-Imidazo[4,5-B]Quinolin-2-One

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Properties Simple | Detailed

Formula C20H19N3O4S
IUPAC Name 7-[4-(benzenesulfonyl)butoxy]-1,3,5,6,8,9-hexahydroimidazo[4,5-b]quinoline-3a,4,4a,5,6,7,8,8a,9,9a-decaid-2-one
Molecular Mass 397.448 g·mol−1
Heat of Formation -339.2 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 444.73 Å 3
Surface Area 405.2 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-imidazo(4,5-b)quinolin-2-one, 1,3-dihydro-7-(4-(phenylsulfonyl)butoxy)-
  • 7-(4-(phenylsulfonyl)butoxy)-1,3-dihydro-2h-imidazo(4,5-b)quinolin-2-one
  • 7-(4-phenylsulfonylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
  • bmy 21638
  • bmy-21638
CAS Number(s)
  • 112859-12-8
InChIKey PSFRCKHLCWZSJR-UHFFFAOYSA-N
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