Methyl 2-[(2-Methyl-4-Pyridinyl)Methyl]-1-Oxo-8-(2-Pyrimidinylmethoxy)-4-(3,4,5-Trimethoxyphenyl)-1,2-Dihydro-2,7-Naphthyridine-3-Carboxylate

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Properties Simple | Detailed

Formula C31H29N5O7
IUPAC Name methyl 2-[(2-methyl-4-pyridyl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate
Molecular Mass 583.591 g·mol−1
Heat of Formation -586.8 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 672.24 Å 3
Surface Area 544.07 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-keto-2-[(2-methyl-4-pyridyl)methyl]-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester
  • 2-[(2-methyl-4-pyridyl)methyl]-1-oxo-8-(2-pyrimidinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylic acid methyl ester
  • hsci1_000141
  • tocris-1676
InChIKey JEMJAABFSYOLAP-UHFFFAOYSA-N
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