6-{[3-(Dimethylcarbamoyl)Phenyl]Sulfonyl}-4-[(3-Methoxyphenyl)Amino]-8-Methyl-3-Quinolinecarboxamide

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Formula C27H27N4O5S
IUPAC Name 6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methyl-quinolin-1-ium-4a-ide-3-carboxamide
Molecular Mass 519.592 g·mol−1
Heat of Formation -475.5 ± 16.7 kJ·mol−1
Dipole Moment 10.27 ± 1.08 D
Volume 595.42 Å 3
Surface Area 451.44 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[3-(dimethylamino-oxomethyl)phenyl]sulfonyl-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide
  • 6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-[(3-methoxyphenyl)amino]-8-methyl-quinoline-3-carboxamide
  • 6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide
InChIKey JFHROPTYMMSOLG-UHFFFAOYSA-N
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