10-Methylpyrimido[4,5-B]Quinoline-2,4,8(1H,3H,10H)-Trione

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Properties Simple | Detailed

Formula C12H18N3O3+
IUPAC Name 10-methyl-5,6,7,9-tetrahydro-1h-pyrimido[4,5-b]quinoline-4a,5,5a,6,7,9,9a,10a-octaide-2,4,8-trione
Molecular Mass 252.290 g·mol−1
Heat of Formation -280.3 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 260.46 Å 3
Surface Area 242.03 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 10-methyl-1h-pyrimido[6,5-b]quinoline-2,4,8-trione
  • 8-hydroxy-10-methyl-5-deazaisoalloxazine
  • pyrimido(4,5-b)quinoline-2,4(3h,10h)-dione, 8-hydroxy-10-methyl-
CAS Number(s)
  • 73077-68-6
InChIKey CRCOWBHLRIKIGR-UHFFFAOYSA-N
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