2-methoxyquinolin-6-amine

• ChemBase ID: 269248
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1c2c(cc(N)cc2)ccc1OC
• Canonical SMILES: COc1ccc2c(n1)ccc(c2)N
• InChI: InChI=1S/C10H10N2O/c1-13-10-5-2-7-6-8(11)3-4-9(7)12-10/h2-6H,11H2,1H3
• InChIKey: CHGNRVWOYGNMMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyquinolin-6-amine
• IUPAC Traditional name: 2-methoxyquinolin-6-amine
• Synonyms: 2-methoxyquinolin-6-amine

Database IDs

• MDL Number: MFCD12173233
• PubChem SID: 164325158
• PubChem CID: 43451032

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7346499
• LogD (pH = 7.4): 1.7387087
• Log P: 1.7387608
• Molar Refractivity: 51.4564 cm^3
• Polarizability: 20.625807 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): 2.306

Product Information

• Purity: 95%