4-methoxyquinolin-8-amine

• ChemBase ID: 245686
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12c(nccc1OC)c(N)ccc2
• Canonical SMILES: COc1ccnc2c1cccc2N
• InChI: InChI=1S/C10H10N2O/c1-13-9-5-6-12-10-7(9)3-2-4-8(10)11/h2-6H,11H2,1H3
• InChIKey: ILLFDHRDCAUCTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxyquinolin-8-amine
• IUPAC Traditional name: 4-methoxyquinolin-8-amine
• Synonyms: 4-methoxyquinolin-8-amine

Database IDs

• MDL Number: MFCD09261105
• PubChem SID: 164301596
• PubChem CID: 12270662

CALCULATED PROPERTIES

• Acid pKa: 19.532328
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9046264
• LogD (pH = 7.4): 1.1401517
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.628193 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.906

Product Information

• Purity: 95%