3-Amino-2-Benzyl-7-Nitro-4-(2-Quinolinyl)-1(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C25H18N4O3+
IUPAC Name 3-amino-2-benzyl-7-nitro-4-(2-quinolyl)isoquinolin-1-one
Molecular Mass 422.435 g·mol−1
Heat of Formation 235.4 ± 16.7 kJ·mol−1
Dipole Moment 10.30 ± 1.08 D
Volume 474.48 Å 3
Surface Area 409.1 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-2-(benzyl)-7-nitro-4-(2-quinolyl)isocarbostyril
  • 3-amino-7-nitro-2-(phenylmethyl)-4-(2-quinolyl)-1-isoquinolinone
  • 3-amino-7-nitro-2-(phenylmethyl)-4-(2-quinolyl)isoquinolin-1-one
  • 3-amino-7-nitro-2-(phenylmethyl)-4-quinolin-2-yl-isoquinolin-1-one
  • oprea1_127438
  • rjc 02314
  • sr-01000638135-1
InChIKey UUGOHBJAEUZKAI-UHFFFAOYSA-N
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