Saracatinib
N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
Molecular Identity
Saracatinib
N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
PubChem CID: 10302451
2D Structure
Properties
C27H32ClN5O5
Molecular Formula
542.00
Molecular Weight
g/mol
541.2092
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
90.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
743
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)ClIsomeric SMILES
SMILES: CN1CCN(CC1)CCOC2=CC3=C(C(=C2)OC4CCOCC4)C(=NC=N3)NC5=C(C=CC6=C5OCO6)ClSynonyms(20)
Saracatinib379231-04-6AZD0530AZD-0530AZD 0530saracatinibumN-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine9KD24QGH76AZ-10353926NSC735464CHEBI:47458DTXSID90191355N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methyl-1-piperazinyl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)-N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
Data from PubChem (NCBI)
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