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Lenvatinib base - Bio-X TM

CAT: 0926-BL164616Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BL164616Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
417716-92-8
Synonyms
4-[3-Chloro-4- (cyclopropylcarbamoylamino) phenoxy]-7-methoxy-quinoline-6-carboxamide
MDL Number
MFCD16038644
Smiles
COC1=CC2=NC=CC (=C2C=C1C (=O) N) OC3=CC (=C (C=C3) NC (=O) NC4CC4) Cl
Molecular Formula
C21H19ClN4O4
Molecular Weight
426.85 g/mol
Controlled
No

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 Number417716-92-8
PubChem CID9823820
IUPAC Name4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide
Molecular FormulaC21H19ClN4O4
Molecular Weight426.9
XLogP2.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity634
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
2D structure of Lenvatinib
CAS: 417716-92-8
CID: 9823820
Formula: C21H19ClN4O4
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass426.1094828
Monoisotopic Mass426.1094828
Topological Polar Surface Area116 Ų
Heavy Atom Count30
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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