10-{[(2R)-2-(Hydroxymethyl)-1-Pyrrolidinyl]Carbonyl}-8-Phenyl-7H-Thieno[2,3-A]Quinolizin-7-One

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Formula C23H20N2O3S
IUPAC Name 10-[(2r)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-8-phenyl-thieno[2,3-a]quinolizine-1,6-diium-7-one
Molecular Mass 404.482 g·mol−1
Heat of Formation -172.2 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 462.4 Å 3
Surface Area 379.33 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 10-[(2r)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-8-phenyl-thieno[3,2-h]quinolizin-7-one
  • 10-[(2r)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-8-phenyl-thieno[3,2-h]quinolizin-7-one
  • 10-[(2r)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-8-phenylthieno[3,2-h]quinolizin-7-one
  • 10-[(2r)-2-methylolpyrrolidine-1-carbonyl]-8-phenyl-thieno[3,2-h]quinolizin-7-one
  • 10-[[(2r)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-8-phenyl-7-thieno[3,2-h]quinolizinone
  • 2-(hydroxymethyl)-1-((7-oxo-8-phenyl-7h-thieno(2,3-a)quinolizin-10-yl)carbonyl)pyrrolidine
  • hotqp
CAS Number(s)
  • 104604-59-3
InChIKey UBUSBVSRCKDQNL-QGZVFWFLSA-N
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