chempirical

Foretinib

C34H34F2N4O6CAS 849217-64-7632.66 g/mol

Open in Covalent MOL file
OOHNOONHFFNONO
AmideAryl halideEtherTertiary amine

Properties

Molecular formula
C34H34F2N4O6
Molar mass
632.66 g/mol
Exact mass
632.2446 Da
logP
6.42Crippen estimate
Polar surface area
114.7 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
12

Identifiers

CAS number
849217-64-7
SMILES
COc1cc2c(Oc3ccc(N=C(O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1
InChIKey
CXQHYVUVSFXTMY-UHFFFAOYSA-N
InChI
InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)

Weigh it out

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

Names and synonyms

8 names
  • 1,1-Cyclopropanedicarboxamide, N-[3-fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N′-(4-fluorophenyl)-
  • N-[3-Fluoro-4-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]phenyl]-N′-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide
  • N-[3-Fluoro-4-[[6-(methyloxy)-7-[[3-(morpholin-4-yl)propyl]oxy]quinolin-4-yl]oxy]phenyl]-N′-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
  • GSK 1363089G
  • GSK 1363089
  • XL 880
  • EXEL 2880
  • 1-N′-[3-Fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Work with Foretinib

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

Similar compounds

Cabozantinib849217-68-156 % similar Cabozantinib S-malate1140909-48-350 % similar Gefitinib184475-35-244 % similar 7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one199327-61-239 % similar Tandutinib387867-13-237 % similar Canertinib dihydrochloride289499-45-236 % similar Canertinib267243-28-735 % similar Cediranib288383-20-033 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia