7-methoxyquinolin-3-amine

• ChemBase ID: 287730
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: Nc1cc2ccc(OC)cc2nc1
• Canonical SMILES: COc1ccc2c(c1)ncc(c2)N
• InChI: InChI=1S/C10H10N2O/c1-13-9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,11H2,1H3
• InChIKey: HKLSFALZGDMVDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinolin-3-amine
• IUPAC Traditional name: 7-methoxyquinolin-3-amine
• Synonyms: 7-Methoxyquinolin-3-ylamine

Database IDs

• CAS Number: 87199-83-5
• PubChem SID: 180673261
• PubChem CID: 3937872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9719515
• LogD (pH = 7.4): 1.1415858
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.620771 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%