7-methoxyquinolin-4-amine

• ChemBase ID: 120895
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12c(cc(cc1)OC)nccc2N
• Canonical SMILES: COc1ccc2c(c1)nccc2N
• InChI: InChI=1S/C10H10N2O/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3,(H2,11,12)
• InChIKey: DZXVXEFSGHJKHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinolin-4-amine
• IUPAC Traditional name: 7-methoxyquinolin-4-amine
• Synonyms: 7-methoxyquinolin-4-amine; 4-AMINO-7-METHOXYLQUINOLINE

Database IDs

• CAS Number: 103040-78-4
• PubChem SID: 162215248
• PubChem CID: 17039870

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19097917
• LogD (pH = 7.4): 0.13073209
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.61868 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%