Ki8751

C24H18F3N3O4CAS 228559-41-9469.42 g/mol

Open in Covalent MOL file
ONOOHNOHNFFF
Aryl halideEtherUrea

Properties

Molecular formula
C24H18F3N3O4
Molar mass
469.42 g/mol
Exact mass
469.1249 Da
logP
6.11Crippen estimate
Polar surface area
81.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6

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
228559-41-9
SMILES
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC(=C(C=C3)NC(=O)NC4=C(C=C(C=C4)F)F)F
InChIKey
LFKQSJNCVRGFCC-UHFFFAOYSA-N
InChI
InChI=1S/C24H18F3N3O4/c1-32-22-11-15-20(12-23(22)33-2)28-8-7-21(15)34-14-4-6-19(17(27)10-14)30-24(31)29-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)

Weigh it out

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

Work with Ki8751

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

Cabozantinib849217-68-157 % similar N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]urea623142-96-156 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-749 % similar Cabozantinib S-malate1140909-48-346 % similar 4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide417722-93-142 % similar Krn-633286370-15-842 % similar Foretinib849217-64-740 % similar Lenvatinib417716-92-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook