2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine

• ChemBase ID: 609651
• Molecular Formular: C18H19ClN4
• Molecular Mass: 326.82326
• Monoisotopic Mass: 326.12982431
• SMILES: n1c(c2c(nc1CCN)cccc2)NCCc1c(Cl)cccc1
• Canonical SMILES: NCCc1nc(NCCc2ccccc2Cl)c2c(n1)cccc2
• InChI: InChI=1S/C18H19ClN4/c19-15-7-3-1-5-13(15)10-12-21-18-14-6-2-4-8-16(14)22-17(23-18)9-11-20/h1-8H,9-12,20H2,(H,21,22,23)
• InChIKey: SWUHHAAAHDREKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8208081
• LogD (pH = 7.4): 1.9711193
• Log P: 3.9713094
• Molar Refractivity: 96.1637 cm^3
• Polarizability: 37.397556 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.98
• LOG S: -3.98
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 6