6-methoxyquinolin-5-amine

• ChemBase ID: 118550
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12c(c(ccc1nccc2)OC)N
• Canonical SMILES: COc1ccc2c(c1N)cccn2
• InChI: InChI=1S/C10H10N2O/c1-13-9-5-4-8-7(10(9)11)3-2-6-12-8/h2-6H,11H2,1H3
• InChIKey: LTDUAVSGOSFGMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinolin-5-amine
• IUPAC Traditional name: 6-methoxyquinolin-5-amine
• Synonyms: 6-methoxyquinolin-5-amine

Database IDs

• CAS Number: 50358-38-8
• MDL Number: MFCD12067881
• PubChem SID: 162098646
• PubChem CID: 459671

CALCULATED PROPERTIES

• Acid pKa: 19.599377
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.88498926
• LogD (pH = 7.4): 1.1396841
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.624266 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%