Neratinib

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Properties Simple | Detailed

Formula C30H29ClN6O3
IUPAC Name (e)-n-[4-[3-chloro-4-(2-pyridylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide
Molecular Mass 557.043 g·mol−1
Heat of Formation 65.8 ± 16.7 kJ·mol−1
Dipole Moment 11.61 ± 1.08 D
Volume 648.64 Å 3
Surface Area 555.38 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-[4-[[3-chloro-4-(2-pyridylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolyl]-4-dimethylamino-but-2-enamide
  • (e)-n-[4-[[3-chloro-4-(2-pyridylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolyl]-4-dimethylaminobut-2-enamide
  • (e)-n-[4-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-dimethylamino-but-2-enamide
  • (e)-n-[4-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide
InChIKey JWNPDZNEKVCWMY-VQHVLOKHSA-N
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