Erlotinib
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Molecular Identity
Erlotinib
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
PubChem CID: 176870
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.
2D Structure
Properties
C22H23N3O4
Molecular Formula
393.40
Molecular Weight
g/mol
393.1689
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
74.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
525
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Erlotinib183321-74-6N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-erlotinibumJ4T82NDH7EDTXSID8046454R-1415RG-1415DTXCID6026454CP-35877401CHEBI:114785[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine(6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl)-(3-ethynyl-phenyl)-amineRefChem:5799
Data from PubChem (NCBI)
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