4-[3-(2-methoxyphenoxy)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase ID: 603053
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(N2CC(C2)Oc2c(OC)cccc2)nc(nc2c1CCCC2)N
• Canonical SMILES: COc1ccccc1OC1CN(C1)c1nc(N)nc2c1CCCC2
• InChI: InChI=1S/C18H22N4O2/c1-23-15-8-4-5-9-16(15)24-12-10-22(11-12)17-13-6-2-3-7-14(13)20-18(19)21-17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,19,20,21)
• InChIKey: ZYVMRPJQJOOVJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-methoxyphenoxy)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC Traditional name: 4-[3-(2-methoxyphenoxy)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
• Synonyms: 4-[3-(2-methoxyphenoxy)azetidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.687262
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6364963
• LogD (pH = 7.4): 2.9612145
• Log P: 3.3028874
• Molar Refractivity: 93.8858 cm^3
• Polarizability: 34.887665 Å^3
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.92
• LOG S: -4.25
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 4