Neratinib

Molecule SVG Image

Properties Simple | Detailed

Formula C30H30ClN6O3
IUPAC Name (e)-n-[4-[3-chloro-4-(2,3,4,5-tetrahydropyridin-2-ylium-3,4,5-triid-6-ylmethoxy)anilino]-3-cyano-7-ethoxy-quinolin-1-ium-4a-id-6-yl]-4-[di(methyl)amino]but-2-enamide
Molecular Mass 558.051 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl