(-)-Febrifugine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H19N3O3
IUPAC Name 3-[3-[(2s,3r)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one
Molecular Mass 301.340 g·mol−1
Heat of Formation -364.3 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 354.2 Å 3
Surface Area 315.54 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3h)-quinazolinone
  • (e)-3-(3-(3-hydroxy-2-piperidinyl)acetonyl)-4-(3h)-quinazolinone
  • 3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3h)-quinazolinone
  • 3-[3-[(2s,3r)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4-quinazolinone
  • 3-[3-[(2s,3r)-3-hydroxy-2-piperidyl]-2-keto-propyl]quinazolin-4-one
  • 3-[3-[(2s,3r)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one
  • 3-[3-[(2s,3r)-3-hydroxypiperidin-2-yl]-2-oxo-propyl]quinazolin-4-one
  • 3-[3-[(2s,3r)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
  • 4(3h)-quinazolinone, 3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, (2s-trans)-
  • beta-dichroine
  • dichroin
  • febrifugine
  • febrifugine (8ci)
  • ferbifrugin
  • trans-3-(beta-keto-gamma-(3-hydroxy-2-piperidyl)propyl)-4-quinazolone
CAS Number(s)
  • 24159-07-7
InChIKey FWVHWDSCPKXMDB-LSDHHAIUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N