3-{2-[4-(4-Fluorobenzoyl)-1-Piperidinyl]Ethyl}-6-Hydroxy-2,4(1H,3H)-Quinazolinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22FN3O4++
IUPAC Name 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-6-hydroxy-quinazoline-2,4-dione
Molecular Mass 411.426 g·mol−1
Heat of Formation -690.0 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 471.96 Å 3
Surface Area 401.38 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • ( )-3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-6-hydroxy-2,4(1h,3h)-quinazolinedione
  • 2,4(1h,3h)-quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-6-hydroxy-
  • 2,4(1h,3h)-quinazolinedione, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-6-hydroxy-, ( )-
  • 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-6-hydroxy-1h-quinazoline-2,4-dione
  • 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-6-hydroxy-1h-quinazoline-2,4-quinone
  • 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1h-quinazoline-2,4-dione
  • 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-6-hydroxy-1h-quinazoline-2,4-dione
  • 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-6-hydroxy-1h-quinazoline-2,4-dione
  • 6-hydroxyketanserin
CAS Number(s)
  • 115994-49-5
  • 94840-70-7
InChIKey RUNBHHBPEINURQ-UHFFFAOYSA-N
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