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

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Properties Simple | Detailed

Formula C22H21FN6O3
IUPAC Name 6-azido-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-7h-quinazolin-7-ide-2,4-dione
Molecular Mass 436.439 g·mol−1
Heat of Formation -184.9 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 495.67 Å 3
Surface Area 428.51 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-quinazolinedione, 6-azido-3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-
  • 6-azido-3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,4(1h,3h)-quinazolinedione
  • 6-azido-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1h-quinazoline-2,4-dione
  • 6-azido-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1h-quinazoline-2,4-quinone
  • 6-azido-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1h-quinazoline-2,4-dione
  • 6-azido-3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1h-quinazoline-2,4-dione
  • 6-azido-3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1h-quinazoline-2,4-dione
  • 6-azidoketanserin
CAS Number(s)
  • 97930-92-2
InChIKey ZODZXLDNRKJANG-UHFFFAOYSA-N
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