6-Cyclopropyl-2-[3-(5-{[5-(4-Ethyl-1-Piperazinyl)-2-Pyridinyl]Amino}-1-Methyl-6-Oxo-1,6-Dihydro-3-Pyridinyl)-2-(Hydroxymethyl)Phenyl]-8-Fluoro-1(2H)-Isoquinolinone

Molecule SVG Image

Properties Simple | Detailed

Formula C36H39FN6O3++
IUPAC Name 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-1h-pyridin-1-ium-3-yl]-2-(hydroxymethyl)phenyl]-8-fluoro-2h-isoquinolin-2-ium-1-one
Molecular Mass 622.732 g·mol−1
Heat of Formation -131.1 ± 16.7 kJ·mol−1
Dipole Moment 8.03 ± 1.08 D
Volume 727.83 Å 3
Surface Area 612.03 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey GOXMNRJCRDHRBQ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N