7-chloro-2-methylquinoline-4-carboxylic acid

• ChemBase ID: 306730
• Molecular Formular: C11H8ClNO2
• Molecular Mass: 221.63972
• Monoisotopic Mass: 221.02435618
• SMILES: c12c(c(C(=O)O)cc(n1)C)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2C(=O)O)C
• InChI: InChI=1S/C11H8ClNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15)
• InChIKey: WOONUCDWZWZHGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2-methylquinoline-4-carboxylic acid
• IUPAC Traditional name: 7-chloro-2-methylquinoline-4-carboxylic acid
• Synonyms: 7-chloro-2-methylquinoline-4-carboxylic acid

Database IDs

• CAS Number: 59666-15-8
• MDL Number: MFCD00454150

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.59878355
• LogD (pH = 7.4): -0.82954675
• Log P: 2.3802016
• Molar Refractivity: 56.6318 cm^3
• Polarizability: 22.904276 Å^3
• Polar Surface Area: 50.19 Å^2