Pelitinib

Molecule SVG Image

Properties Simple | Detailed

Formula C24H22ClFN5O2
IUPAC Name (e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide
Molecular Mass 466.915 g·mol−1
Heat of Formation -95.6 ± 16.7 kJ·mol−1
Dipole Moment 13.04 ± 1.08 D
Volume 537.12 Å 3
Surface Area 478.35 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide
  • (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
  • (e)-n-[4-(3-chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide,
  • (e)-n-[4-[(3-chloro-4-fluoro-phenyl)amino]-3-cyano-7-ethoxy-6-quinolyl]-4-dimethylamino-but-2-enamide
  • (e)-n-[4-[(3-chloro-4-fluoro-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-dimethylamino-but-2-enamide
  • (e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolyl]-4-dimethylaminobut-2-enamide
  • 2-butenamide, n-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2e)-
  • 2-butenamide, n-[4-(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl-4-(dimethylamino)-, (e)-,
  • 4-dimethylaminobut-2-enoic acid, [4-(3-chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide
  • d05399
  • ekb 569
  • ekb-569
  • pelitinib (usan)
  • way-172569
  • way-ekb 569
  • way-ekb-569
CAS Number(s)
  • 257933-82-7
InChIKey WVUNYSQLFKLYNI-AATRIKPKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N