8-ethoxyquinolin-5-amine

• ChemBase ID: 56002
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c12c(nccc2)c(ccc1N)OCC
• Canonical SMILES: CCOc1ccc(c2c1nccc2)N
• InChI: InChI=1S/C11H12N2O/c1-2-14-10-6-5-9(12)8-4-3-7-13-11(8)10/h3-7H,2,12H2,1H3
• InChIKey: BPAUMUIICJTMEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethoxyquinolin-5-amine
• IUPAC Traditional name: 8-ethoxyquinolin-5-amine
• Synonyms: 8-Ethoxyquinolin-5-amine

Database IDs

• MDL Number: MFCD07658691
• PubChem SID: 162060765
• PubChem CID: 5200276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4890771
• LogD (pH = 7.4): 1.5009575
• Log P: 1.5011111
• Molar Refractivity: 55.8915 cm^3
• Polarizability: 22.476036 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false