3-Ethyl-8-({2-[4-(Hydroxymethyl)-1-Piperidinyl]Benzyl}Amino)-1,3-Dihydro-2H-Imidazo[4,5-G]Quinazoline-2-Thione

Molecule SVG Image

Properties Simple | Detailed

Formula C24H28N6OS
IUPAC Name 3-ethyl-8-[[2-[4-(hydroxymethyl)-1-piperidyl]phenyl]methylamino]imidazo[4,5-g]quinazoline-1,3-diium-2-thione
Molecular Mass 448.584 g·mol−1
Heat of Formation 180.2 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 543.78 Å 3
Surface Area 423.83 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-8-[[2-(4-methylol-1-piperidyl)benzyl]amino]-1h-imidazo[4,5-g]quinazoline-2-thione
  • 3-ethyl-8-[[2-[4-(hydroxymethyl)-1-piperidinyl]phenyl]methylamino]-1h-imidazo[4,5-g]quinazoline-2-thione
  • 3-ethyl-8-[[2-[4-(hydroxymethyl)-1-piperidyl]phenyl]methylamino]-1h-imidazo[4,5-g]quinazoline-2-thione
  • 3-ethyl-8-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]-1h-imidazo[4,5-g]quinazoline-2-thione
InChIKey NMKUPEWPVORTPC-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N