chempirical

Lenvatinib

C21H19ClN4O4CAS 417716-92-8426.86 g/mol

Open in Covalent MOL file
ONONHOHNClH2NO
Aryl halideEther

Properties

Molecular formula
C21H19ClN4O4
Molar mass
426.86 g/mol
Exact mass
426.1095 Da
logP
5.06Crippen estimate
Polar surface area
120.0 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
6

Identifiers

CAS number
417716-92-8
SMILES
COc1cc2nccc(Oc3ccc(NC(O)=NC4CC4)c(Cl)c3)c2cc1C(=N)O
InChIKey
WOSKHXYHFSIKNG-UHFFFAOYSA-N
InChI
InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)

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Names and synonyms

5 names
  • 6-Quinolinecarboxamide, 4-[3-chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-
  • 4-[3-Chloro-4-[[(cyclopropylamino)carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide
  • E 7080
  • ER 203492-00
  • Lenvanix

Work with Lenvatinib

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

Lenvatinib mesylate857890-39-288 % similar Tivozanib475108-18-043 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-737 % similar Cabozantinib849217-68-135 % similar Cabozantinib S-malate1140909-48-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook