1-(7-Amino-5,8-Dioxo-5,8-Dihydro-2-Quinolinyl)-4-Methyl-9H-β-Carboline-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H14N4O4
IUPAC Name 1-(7-amino-5,8-dioxo-2-quinolyl)-4-methyl-9h-pyrido[3,4-b]indole-3-carboxylic acid
Molecular Mass 398.371 g·mol−1
Heat of Formation -173.9 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 429.81 Å 3
Surface Area 379.66 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(7-amino-5,8-diketo-2-quinolyl)-4-methyl-9h-$b-carboline-3-carboxylic acid
  • 1-(7-amino-5,8-dioxo-2-quinolyl)-4-methyl-9h-pyrido[5,4-b]indole-3-carboxylic acid
  • 1-(7-amino-5,8-dioxo-quinolin-2-yl)-4-methyl-9h-pyrido[5,4-b]indole-3-carboxylic acid
  • 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9h-pyrido[5,4-b]indole-3-carboxylic acid
  • 9h-pyrido(3,4-b)indole-3-carboxylic acid, 1-(7-amino-5,8-dihydro-5,8-dioxo-2-quinolinyl)-4-methyl-
  • lavendamycin
CAS Number(s)
  • 81645-09-2
InChIKey IGQJRDIREIWBQP-UHFFFAOYSA-N
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