2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(2-phenoxyethyl)quinazolin-4-amine

• ChemBase ID: 541387
• Molecular Formular: C21H26N4O2
• Molecular Mass: 366.45674
• Monoisotopic Mass: 366.20557609
• SMILES: c1(nc(nc2c1cccc2)CCN)N(CCOc1ccccc1)CCOC
• Canonical SMILES: COCCN(c1nc(CCN)nc2c1cccc2)CCOc1ccccc1
• InChI: InChI=1S/C21H26N4O2/c1-26-15-13-25(14-16-27-17-7-3-2-4-8-17)21-18-9-5-6-10-19(18)23-20(24-21)11-12-22/h2-10H,11-16,22H2,1H3
• InChIKey: JHDXZUOSXVCLOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(2-phenoxyethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(2-phenoxyethyl)quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(2-phenoxyethyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.3865695
• LogD (pH = 7.4): 1.5332994
• Log P: 3.5323498
• Molar Refractivity: 107.8218 cm^3
• Polarizability: 42.50841 Å^3
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.97
• LOG S: -3.4
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 10