Cribrostatin 3

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Properties Simple | Detailed

Formula C16H16N2O4
IUPAC Name (7-amino-6-methyl-5,8-dioxo-1-isoquinolyl)methyl (z)-2-methylbut-2-enoate
Molecular Mass 300.309 g·mol−1
Heat of Formation -457.5 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 346.77 Å 3
Surface Area 307.3 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry C1
Synonyms
  • (7-amino-6-methyl-5,8-dioxo-1-isoquinolyl)methyl (z)-2-methylbut-2-enoate
  • (7-amino-6-methyl-5,8-dioxo-isoquinolin-1-yl)methyl (z)-2-methylbut-2-enoate
  • (7-amino-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (z)-2-methylbut-2-enoate
  • (z)-2-methylbut-2-enoic acid (7-amino-5,8-diketo-6-methyl-1-isoquinolyl)methyl ester
  • (z)-2-methylbut-2-enoic acid (7-amino-6-methyl-5,8-dioxo-1-isoquinolyl)methyl ester
InChIKey OOVHJUXBXNVAER-YWEYNIOJSA-N
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