2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine

• ChemBase ID: 738571
• Molecular Formular: C18H17N3O4
• Molecular Mass: 339.34528
• Monoisotopic Mass: 339.12190604
• SMILES: n1c(nc2c(c1N)cc(c(c2)OC)OC)c1cc2c(OCCO2)cc1
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H17N3O4/c1-22-14-8-11-12(9-15(14)23-2)20-18(21-17(11)19)10-3-4-13-16(7-10)25-6-5-24-13/h3-4,7-9H,5-6H2,1-2H3,(H2,19,20,21)
• InChIKey: NQEIXZPXWCXHAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
• IUPAC Traditional name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
• Synonyms: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.2086267
• LogD (pH = 7.4): 2.663329
• Log P: 2.6738453
• Molar Refractivity: 103.1093 cm^3
• Polarizability: 36.79154 Å^3
• Polar Surface Area: 88.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.95
• LOG S: -3.34
• Polar Surface Area: 88.72 Å^2
• Rotatable Bonds: 3