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

• ChemBase ID: 408847
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c1(nc(nc2c1cccc2)CCN)N(CC1CC1)CCOC
• Canonical SMILES: COCCN(c1nc(CCN)nc2c1cccc2)CC1CC1
• InChI: InChI=1S/C17H24N4O/c1-22-11-10-21(12-13-6-7-13)17-14-4-2-3-5-15(14)19-16(20-17)8-9-18/h2-5,13H,6-12,18H2,1H3
• InChIKey: UBTLTLNRQWVHOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.45907995
• LogD (pH = 7.4): 0.6880148
• Log P: 2.6871657
• Molar Refractivity: 89.2116 cm^3
• Polarizability: 35.187553 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.12
• LOG S: -2.2
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 8