Apabetalone
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
Molecular Identity
Apabetalone
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
PubChem CID: 135564749
2D Structure
Properties
C20H22N2O5
Molecular Formula
370.40
Molecular Weight
g/mol
370.1529
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
89.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
542
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2Isomeric SMILES
SMILES: CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2Synonyms(20)
Apabetalone1044870-39-4RVX-2082-(4-(2-Hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-oneRVX 208RVX000222RVX208Apabetalona2-[4-(2-Hydroxyethoxy)-3,5-Dimethylphenyl]-5,7-Dimethoxyquinazolin-4(3h)-One8R4A7GDZ1D2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1H)-quinazolinoneapabetalonum2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-1,4-dihydroquinazolin-4-one2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-oneRefChem:558387
Data from PubChem (NCBI)
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