Cribrostatin 5

Molecule SVG Image

Properties Simple | Detailed

Formula C17H18N2O4
IUPAC Name [6-methyl-7-(methylamino)-5,8-dioxo-1-isoquinolyl]methyl (z)-2-methylbut-2-enoate
Molecular Mass 314.336 g·mol−1
Heat of Formation -447.0 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 367.13 Å 3
Surface Area 325.15 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (6-methyl-7-methylamino-5,8-dioxo-1-isoquinolyl)methyl (z)-2-methylbut-2-enoate
  • (6-methyl-7-methylamino-5,8-dioxo-isoquinolin-1-yl)methyl (z)-2-methylbut-2-enoate
  • (6-methyl-7-methylamino-5,8-dioxoisoquinolin-1-yl)methyl (z)-2-methylbut-2-enoate
  • (z)-2-methylbut-2-enoic acid (5,8-diketo-6-methyl-7-methylamino-1-isoquinolyl)methyl ester
  • (z)-2-methylbut-2-enoic acid (6-methyl-7-methylamino-5,8-dioxo-1-isoquinolyl)methyl ester
InChIKey BUZBJTWQTFDFES-UITAMQMPSA-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