Nintedanib

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Properties Simple | Detailed

Formula C31H34N5O4
IUPAC Name (z)-[(6-methoxycarbonyl-2-oxo-indolin-3-id-3-yl)-phenyl-methylene]-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]ammonium
Molecular Mass 540.633 g·mol−1
Heat of Formation -290.9 ± 16.7 kJ·mol−1
Dipole Moment 10.49 ± 1.08 D
Volume 657.27 Å 3
Surface Area 526.62 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-2-keto-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]amino]-phenyl-methylene]indoline-6-carboxylic acid methyl ester
  • (3z)-3-[[[4-[methyl-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]phenyl]amino]-phenylmethylene]-2-oxo-6-indolinecarboxylic acid methyl ester
  • methyl (3z)-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]amino]-phenyl-methylene]-2-oxo-indoline-6-carboxylate
  • methyl (3z)-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]amino]-phenylmethylidene]-2-oxo-1h-indole-6-carboxylate
  • methyl (3z)-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)ethanoyl]amino]phenyl]amino]-phenyl-methylidene]-2-oxo-1h-indole-6-carboxylate
InChIKey XZXHXSATPCNXJR-ZIADKAODSA-N
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