chempirical

Cabozantinib

C28H24FN3O5CAS 849217-68-1501.51 g/mol

Open in Covalent MOL file
ONONHOONHFO
AmideAryl halideEther

Properties

Molecular formula
C28H24FN3O5
Molar mass
501.51 g/mol
Exact mass
501.1700 Da
logP
5.54Crippen estimate
Polar surface area
98.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
849217-68-1
SMILES
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC
InChIKey
ONIQOQHATWINJY-UHFFFAOYSA-N
InChI
InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1,1-Cyclopropanedicarboxamide, N′-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-
  • 1,1-Cyclopropanedicarboxamide, N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]-N′-(4-fluorophenyl)-
  • N′-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]phenyl]-N-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide
  • BMS 907351
  • Cabometyx
  • 1-N-[4-(6,7-Dimethoxyquinolin-4-yl)oxyphenyl]-1-N′-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
  • XL 184

Work with Cabozantinib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cabozantinib S-malate1140909-48-3Salt

Similar compounds

Ki8751228559-41-957 % similar Foretinib849217-64-756 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-751 % similar N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]urea623142-96-143 % similar 1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid849217-48-743 % similar Golvatinib928037-13-241 % similar 4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide417722-93-140 % similar 4-Chloro-6,7-dimethoxyquinoline35654-56-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook