Bosutinib

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Properties Simple | Detailed

Formula C26H29Cl2N5O3
IUPAC Name 4-[[(z)-2-chloro-1-[(e)-2-hydroxyvinyl]prop-1-enyl]amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile chloride
Molecular Mass 530.446 g·mol−1
Heat of Formation -84.2 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 607.3 Å 3
Surface Area 502.53 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3-quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-
  • 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile
  • 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile
  • 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
  • 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile
  • 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
  • bosutinib (usan)
  • d03252
  • k00615a
  • ski 606
  • ski-606
CAS Number(s)
  • 380843-75-4
InChIKey UBPYILGKFZZVDX-UHFFFAOYSA-N
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Elements H C N O Cl