6-methoxyquinolin-3-amine

• ChemBase ID: 308444
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1c2c(cc(c1)N)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)cc(cn2)N
• InChI: InChI=1S/C10H10N2O/c1-13-9-2-3-10-7(5-9)4-8(11)6-12-10/h2-6H,11H2,1H3
• InChIKey: VHKHDKZNEHKDNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinolin-3-amine
• IUPAC Traditional name: 6-methoxyquinolin-3-amine
• Synonyms: 6-methoxy-3-quinolinamine

Database IDs

• CAS Number: 29507-86-6
• MDL Number: MFCD07700265

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0231011
• LogD (pH = 7.4): 1.1425198
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.6212 Å^3
• Polar Surface Area: 48.14 Å^2