Lenvatinib

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CAS Number

417716-92-8

Synonyms

4-[3-Chloro-4-[[ (cyclopropylamino) carbonyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide;4-[3-Chloro-4-[ (cyclopropylaminocarbonyl) amino]phenoxy]-7-methoxy-6-quinolinecarboxamide; Lenvatinib

Molecular Formula

C21H19ClN4O4

Molecular Weight

426.86

API Name

Lenvatinib

Chemical Information

Lenvatinib

Lenvatinib is a member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine. It has a role as an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a fibroblast growth factor receptor antagonist, a vascular endothelial growth factor receptor antagonist and an orphan drug. It is a member of phenylureas, a member of quinolines, a monocarboxylic acid amide, an aromatic ether, a member of cyclopropanes, an aromatic amide and a member of monochlorobenzenes. It is a conjugate base of a lenvatinib(1+).

CAS Number	417716-92-8
PubChem CID	9823820
IUPAC Name	4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide
Molecular Formula	C21H19ClN4O4
Molecular Weight	426.9
XLogP	2.8
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	634

SMILES

COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

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)

InChIKey

WOSKHXYHFSIKNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 417716-92-8

CID: 9823820

Formula: C21H19ClN4O4

MW: 426.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	426.9
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	426.1094828
Monoisotopic Mass	426.1094828
Topological Polar Surface Area	116 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	634
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
abx282895-01	Lenvatinib

Lenvatinib

Chemical Information

Alternative Products

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