Lenvatinib

C₂₁H₁₉ClN₄O₄CAS 417716-92-8426.86 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₂₁H₁₉ClN₄O₄
Molar mass: 426.86 g/mol
Exact mass: 426.1095 Da
logP: 5.06Crippen estimate
Polar surface area: 120.0 Å²
H-bond donors / acceptors: 4 / 5
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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

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.

Lenvatinib mesylate857890-39-2Salt

Similar compounds

4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide417722-93-147 % similar Tivozanib475108-18-043 % similar N-[4-[(6,7-Dimethoxy-4-quinolinyl)oxy]-2-methoxyphenyl]-N'-[1-(2-thiazolyl)ethyl]urea623142-96-139 % similar Ki8751228559-41-939 % similar Krn-633286370-15-838 % similar 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline190728-25-737 % similar Methyl 4-chloro-7-methoxyquinoline-6-carboxylate205448-66-436 % similar 4-Chloro-7-methoxyquinoline-6-carboxamide417721-36-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook