Canertinib
N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
Molecular Identity
Canertinib
N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
PubChem CID: 156414
Canertinib is a quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a propenamido group at the 6-position, and a 3-morpholinopropoxy group at the 7-position. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is an organofluorine compound, a member of quinazolines, a member of morpholines and a member of monochlorobenzenes.
2D Structure
Properties
C24H25ClFN5O3
Molecular Formula
485.90
Molecular Weight
g/mol
485.1630
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
88.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
671
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Canertinib267243-28-7DTXSID8048943N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-(morpholin-4-yl)propoxy]quinazolin-6-yl}prop-2-enamideC78W1K5ASFN-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-(morpholin-4-yl)propoxy)quinazolin-6-yl)prop-2-enamideDTXCID1028869CHEBI:613992-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-(3-(4-MORPHOLINYL)PROPOXY)-6-QUINAZOLINYL)-canertinibumRefChem:917970CI 1033CI-1033Canertinib (CI-1033)Canertinib free base
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Canertinib
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