E7080

Chemical Information
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 |
| 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 Ų |
| 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 |
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