7-methoxy-3-propylquinolin-2-amine

• ChemBase ID: 805084
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: c1(cc2c(cc1)cc(c(n2)N)CCC)OC
• Canonical SMILES: CCCc1cc2ccc(cc2nc1N)OC
• InChI: InChI=1S/C13H16N2O/c1-3-4-10-7-9-5-6-11(16-2)8-12(9)15-13(10)14/h5-8H,3-4H2,1-2H3,(H2,14,15)
• InChIKey: RQIIHWDVILLDIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-3-propylquinolin-2-amine
• IUPAC Traditional name: 7-methoxy-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-7-METHOXY-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8878771
• LogD (pH = 7.4): 3.0338457
• Log P: 3.1413195
• Molar Refractivity: 65.6996 cm^3
• Polarizability: 26.077543 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%