4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase ID: 450636
• Molecular Formular: C17H26N6O2
• Molecular Mass: 346.42734
• Monoisotopic Mass: 346.2117241
• SMILES: c1(nc(nc2c1CCCC2)N)N1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: Nc1nc2CCCCc2c(n1)N1CCN(CC1)C(=O)N1CCOCC1
• InChI: InChI=1S/C17H26N6O2/c18-16-19-14-4-2-1-3-13(14)15(20-16)21-5-7-22(8-6-21)17(24)23-9-11-25-12-10-23/h1-12H2,(H2,18,19,20)
• InChIKey: JYPYPEPFBFZRIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC Traditional name: 4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
• Synonyms: 4-[4-(morpholin-4-ylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.690954
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.77999187
• LogD (pH = 7.4): 0.54251987
• Log P: 0.8975871
• Molar Refractivity: 97.0351 cm^3
• Polarizability: 35.505413 Å^3
• Polar Surface Area: 87.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.9
• LOG S: -2.56
• Polar Surface Area: 87.82 Å^2
• Rotatable Bonds: 1