7-methoxy-3-phenylquinolin-2-amine

• ChemBase ID: 816084
• Molecular Formular: C16H14N2O
• Molecular Mass: 250.29516
• Monoisotopic Mass: 250.11061308
• SMILES: c1(cc2c(cc1)cc(c(n2)N)c1ccccc1)OC
• Canonical SMILES: COc1ccc2c(c1)nc(c(c2)c1ccccc1)N
• InChI: InChI=1S/C16H14N2O/c1-19-13-8-7-12-9-14(11-5-3-2-4-6-11)16(17)18-15(12)10-13/h2-10H,1H3,(H2,17,18)
• InChIKey: KSOJLXXRYSKGNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-3-phenylquinolin-2-amine
• IUPAC Traditional name: 7-methoxy-3-phenylquinolin-2-amine
• Synonyms: 2-AMINO-7-METHOXY-3-PHENYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6722186
• LogD (pH = 7.4): 3.3623796
• Log P: 3.385986
• Molar Refractivity: 76.5926 cm^3
• Polarizability: 31.695004 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%