2-methoxyquinolin-8-amine

• ChemBase ID: 245817
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1c2c(N)cccc2ccc1OC
• Canonical SMILES: COc1ccc2c(n1)c(N)ccc2
• InChI: InChI=1S/C10H10N2O/c1-13-9-6-5-7-3-2-4-8(11)10(7)12-9/h2-6H,11H2,1H3
• InChIKey: QURAWDWTNZXEDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyquinolin-8-amine
• IUPAC Traditional name: 2-methoxyquinolin-8-amine
• Synonyms: 2-methoxyquinolin-8-amine

Database IDs

• MDL Number: MFCD19689979
• PubChem SID: 164301727
• PubChem CID: 436867

CALCULATED PROPERTIES

• Acid pKa: 19.516981
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7384449
• LogD (pH = 7.4): 1.7387568
• Log P: 1.7387608
• Molar Refractivity: 51.4564 cm^3
• Polarizability: 20.630142 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.306

Product Information

• Purity: 95%