(2E)-N-Methyl-N-[(3-Methyl-1-Benzofuran-2-Yl)Methyl]-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)Acrylamide

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Properties Simple | Detailed

Formula C22H21N3O3
IUPAC Name (e)-n-methyl-n-[(3-methylbenzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5h-1,8-naphthyridin-3-yl)prop-2-enamide
Molecular Mass 375.420 g·mol−1
Heat of Formation -204.3 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 449.52 Å 3
Surface Area 370.5 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(7-keto-6,8-dihydro-5h-1,8-naphthyridin-3-yl)-n-methyl-n-[(3-methylbenzofuran-2-yl)methyl]acrylamide
  • (e)-n-methyl-n-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5h-1,8-naphthyridin-3-yl)prop-2-enamide
  • (e)-n-methyl-n-[(3-methyl-2-benzofuranyl)methyl]-3-(7-oxo-6,8-dihydro-5h-1,8-naphthyridin-3-yl)prop-2-enamide
  • (e)-n-methyl-n-[(3-methylbenzofuran-2-yl)methyl]-3-(7-oxo-6,8-dihydro-5h-1,8-naphthyridin-3-yl)prop-2-enamide
InChIKey QXTWSUQCXCWEHF-JXMROGBWSA-N
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