8-methoxyquinolin-4-amine

• ChemBase ID: 119955
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12c(nccc1N)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1nccc2N
• InChI: InChI=1S/C10H10N2O/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3,(H2,11,12)
• InChIKey: QMBPJEIUEYDRGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinolin-4-amine
• IUPAC Traditional name: 8-methoxyquinolin-4-amine
• Synonyms: 8-methoxyquinolin-4-amine; 8-methoxy-4-quinolinamine; 4-AMINO-8-METHOXYLQUINOLINE

Database IDs

• CAS Number: 220844-65-5
• MDL Number: MFCD08063217
• PubChem SID: 162108211
• PubChem CID: 16767485

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.23439865
• LogD (pH = 7.4): 1.0892917
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.625814 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%