Dacomitinib
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
Molecular Identity
Dacomitinib
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
PubChem CID: 11511120
Dacomitinib is a member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. It has a role as an antineoplastic agent and an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of piperidines, a member of quinazolines, a secondary amino compound, a tertiary amino compound, an enamide, a member of monochlorobenzenes and a member of monofluorobenzenes.
2D Structure
Properties
C24H25ClFN5O2
Molecular Formula
469.90
Molecular Weight
g/mol
469.1681
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
79.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
665
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dacomitinib1110813-31-4PF-00299804Dacomitinib anhydrousVizimprodacomitinibum2XJX250C20pf00299804PF 00299804-03PF-00299804-03(2e)-N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-Methoxyquinazolin-6-Yl}-4-(Piperidin-1-Yl)but-2-EnamideCHEBI:132268DTXSID50149493(2E)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)-4-PIPERIDIN-1-YLBUT-2-ENAMIDE2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-, (2E)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dacomitinib
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