(2E)-3-(6-Acetamido-3-Pyridinyl)-N-{2-[(2,4-Dichloro-3-{[(2-Methyl-8-Quinolinyl)Oxy]Methyl}Phenyl)(Methyl)Amino]-2-Oxoethyl}Acrylamide

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Properties Simple | Detailed

Formula C30H27Cl2N5O4
IUPAC Name (e)-3-(6-acetamido-3-pyridyl)-n-[2-[2,4-dichloro-n-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]prop-2-enamide
Molecular Mass 592.472 g·mol−1
Heat of Formation -295.7 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 672.62 Å 3
Surface Area 559.76 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(6-acetamido-3-pyridyl)-n-[2-[[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]-methyl-amino]-2-oxo-ethyl]prop-2-enamide
  • (e)-3-(6-acetamido-3-pyridyl)-n-[2-[[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]-methylamino]-2-oxoethyl]prop-2-enamide
  • (e)-3-(6-acetamidopyridin-3-yl)-n-[2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxo-ethyl]prop-2-enamide
  • fk-3657
  • fr-173657
  • fr173657
  • n-[5-[(e)-3-[[2-[[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]-methyl-amino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-2-pyridyl]acetamide
InChIKey XCKWRUGRUFVXGC-NTEUORMPSA-N
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Elements H C N O Cl