3-(6,8-dimethoxy-4-methylquinolin-2-yl)aniline

• ChemBase ID: 551833
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: n1c2c(c(cc1c1cc(N)ccc1)C)cc(cc2OC)OC
• Canonical SMILES: COc1cc(OC)cc2c1nc(cc2C)c1cccc(c1)N
• InChI: InChI=1S/C18H18N2O2/c1-11-7-16(12-5-4-6-13(19)8-12)20-18-15(11)9-14(21-2)10-17(18)22-3/h4-10H,19H2,1-3H3
• InChIKey: LTELAAVYKZXYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6,8-dimethoxy-4-methylquinolin-2-yl)aniline
• IUPAC Traditional name: 3-(6,8-dimethoxy-4-methylquinolin-2-yl)aniline
• Synonyms: 3-(6,8-dimethoxy-4-methylquinolin-2-yl)aniline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5243223
• LogD (pH = 7.4): 3.5330172
• Log P: 3.533129
• Molar Refractivity: 87.4115 cm^3
• Polarizability: 35.921844 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.53
• LOG S: -3.51
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3