2-(methylamino)quinolin-8-ol

• ChemBase ID: 310618
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: n1c2c(O)cccc2ccc1NC
• Canonical SMILES: CNc1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C10H10N2O/c1-11-9-6-5-7-3-2-4-8(13)10(7)12-9/h2-6,13H,1H3,(H,11,12)
• InChIKey: XBYZXLIEDQJISL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)quinolin-8-ol
• IUPAC Traditional name: 2-(methylamino)quinolin-8-ol
• Synonyms: 2-(methylamino)-8-quinolinol

Database IDs

• CAS Number: 70125-17-6
• MDL Number: MFCD00168932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1387284
• LogD (pH = 7.4): 1.847592
• Log P: 1.8945708
• Molar Refractivity: 52.4675 cm^3
• Polarizability: 20.551785 Å^3
• Polar Surface Area: 45.15 Å^2