Erlotinib (Standard)

Chemical Information
Erlotinib is a quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions. It has a role as an antineoplastic agent, a protein kinase inhibitor and an epidermal growth factor receptor antagonist. It is an aromatic ether, a member of quinazolines, a secondary amino compound and a terminal acetylenic compound.
| CAS Number | 183321-74-6 |
| PubChem CID | 176870 |
| IUPAC Name | N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine |
| Molecular Formula | C22H23N3O4 |
| Molecular Weight | 393.4 |
| XLogP | 3.3 |
| Topological Polar Surface Area | 74.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 525 |
| Property | Value |
|---|---|
| Molecular Weight | 393.4 |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 393.16885622 |
| Monoisotopic Mass | 393.16885622 |
| Topological Polar Surface Area | 74.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 525 |
| 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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