(3R,4S)-6-Benzyl-3-Hydroxy-2,2-Dimethyl-4-(2-Oxo-1-Pyrrolidinyl)-2,3,4,6-Tetrahydro-5H-Pyrano[3,2-C]Quinolin-5-One

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Properties Simple | Detailed

Formula C25H26N2O4
IUPAC Name (3r,4s)-6-benzyl-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydropyrano[3,2-c]quinolin-5-one
Molecular Mass 418.485 g·mol−1
Heat of Formation -549.0 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 495.01 Å 3
Surface Area 376.98 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-(phenylmethyl)-3,4-dihydropyrano[5,6-c]quinolin-5-one
  • (3r,4s)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-6-(phenylmethyl)-3,4-dihydropyrano[5,6-c]quinolin-5-one
  • (3r,4s)-6-(benzyl)-3-hydroxy-4-(2-ketopyrrolidin-1-yl)-2,2-dimethyl-3,4-dihydropyrano[5,6-c]quinolin-5-one
  • 5h-pyrano(3,2-c)quinolin-5-one, 2,3,4,6-tetrahydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-(phenylmethyl)-, trans-
  • bms 188107
  • bms-188107
CAS Number(s)
  • 139232-80-7
InChIKey KLSKINYBELQIRV-JTHBVZDNSA-N
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