2-(2-aminoethyl)-N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]quinazolin-4-amine

• ChemBase ID: 325442
• Molecular Formular: C22H33N5
• Molecular Mass: 367.53092
• Monoisotopic Mass: 367.27359608
• SMILES: n1c(c2c(nc1CCN)cccc2)NCCC1CCN(CC1)C1CCCC1
• Canonical SMILES: NCCc1nc(NCCC2CCN(CC2)C2CCCC2)c2c(n1)cccc2
• InChI: InChI=1S/C22H33N5/c23-13-9-21-25-20-8-4-3-7-19(20)22(26-21)24-14-10-17-11-15-27(16-12-17)18-5-1-2-6-18/h3-4,7-8,17-18H,1-2,5-6,9-16,23H2,(H,24,25,26)
• InChIKey: HXIMWTIHLSBUEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.2728515
• LogD (pH = 7.4): -1.3757483
• Log P: 3.49296
• Molar Refractivity: 113.3516 cm^3
• Polarizability: 44.54101 Å^3
• Polar Surface Area: 67.07 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 2
• Log P: 3.59
• LOG S: -3.94
• Polar Surface Area: 67.07 Å^2