4-chloro-2-methylquinolin-8-ol

• ChemBase ID: 180197
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c12c(c(cc(n1)C)Cl)cccc2O
• Canonical SMILES: Cc1cc(Cl)c2c(n1)c(O)ccc2
• InChI: InChI=1S/C10H8ClNO/c1-6-5-8(11)7-3-2-4-9(13)10(7)12-6/h2-5,13H,1H3
• InChIKey: BVZOKIGKGBZTOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methylquinolin-8-ol
• IUPAC Traditional name: 4-chloro-2-methylquinolin-8-ol
• Synonyms: 4-Chloro-8-hydroxy-2-methylquinoline

Database IDs

• CAS Number: 28507-46-2
• PubChem SID: 164236107
• PubChem CID: 12219722

CALCULATED PROPERTIES

• Acid pKa: 9.184752
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5363538
• LogD (pH = 7.4): 2.555075
• Log P: 2.56275
• Molar Refractivity: 51.3565 cm^3
• Polarizability: 21.183905 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true