7-chloro-8-methylquinolin-4-ol

• ChemBase ID: 816045
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c1(c(c2c(cc1)c(ccn2)O)C)Cl
• Canonical SMILES: Clc1ccc2c(c1C)nccc2O
• InChI: InChI=1S/C10H8ClNO/c1-6-8(11)3-2-7-9(13)4-5-12-10(6)7/h2-5H,1H3,(H,12,13)
• InChIKey: SFEXKUDRCXAASW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-methylquinolin-4-ol
• IUPAC Traditional name: 7-chloro-8-methylquinolin-4-ol
• Synonyms: 7-CHLORO-4-HYDROXY-8-METHYLQUINOLINE

Database IDs

• CAS Number: 203626-39-5

CALCULATED PROPERTIES

• Acid pKa: 10.911236
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9446464
• LogD (pH = 7.4): 2.9446676
• Log P: 2.9448013
• Molar Refractivity: 51.8062 cm^3
• Polarizability: 21.17682 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%