2-(2-aminoethyl)-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]quinazolin-4-amine

• ChemBase ID: 675677
• Molecular Formular: C18H24N6
• Molecular Mass: 324.42336
• Monoisotopic Mass: 324.2062448
• SMILES: n1c(c2c(nc1CCN)cccc2)NCCCn1c(ncc1)CC
• Canonical SMILES: NCCc1nc(NCCCn2ccnc2CC)c2c(n1)cccc2
• InChI: InChI=1S/C18H24N6/c1-2-17-20-11-13-24(17)12-5-10-21-18-14-6-3-4-7-15(14)22-16(23-18)8-9-19/h3-4,6-7,11,13H,2,5,8-10,12,19H2,1H3,(H,21,22,23)
• InChIKey: GKXQGUFOSCIKGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.0182135
• LogD (pH = 7.4): 0.00813711
• Log P: 2.2113974
• Molar Refractivity: 97.8648 cm^3
• Polarizability: 37.79344 Å^3
• Polar Surface Area: 81.65 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.11
• LOG S: -2.36
• Polar Surface Area: 81.65 Å^2
• Rotatable Bonds: 8