2-chloro-5,7-dimethylquinolin-8-ol

• ChemBase ID: 310623
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c12nc(ccc1c(cc(c2O)C)C)Cl
• Canonical SMILES: Clc1ccc2c(n1)c(O)c(cc2C)C
• InChI: InChI=1S/C11H10ClNO/c1-6-5-7(2)11(14)10-8(6)3-4-9(12)13-10/h3-5,14H,1-2H3
• InChIKey: UZHWQMSRJRJPKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5,7-dimethylquinolin-8-ol
• IUPAC Traditional name: 2-chloro-5,7-dimethylquinolin-8-ol
• Synonyms: 2-chloro-5,7-dimethylquinolin-8-ol

Database IDs

• CAS Number: 312941-39-2
• MDL Number: MFCD00168949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.678299
• LogD (pH = 7.4): 3.6759229
• Log P: 3.6783998
• Molar Refractivity: 57.9087 cm^3
• Polarizability: 23.00009 Å^3
• Polar Surface Area: 33.12 Å^2