2-(quinolin-2-yl)quinoline-8-carboxylic acid

• ChemBase ID: 199273
• Molecular Formular: C19H12N2O2
• Molecular Mass: 300.31078
• Monoisotopic Mass: 300.08987763
• SMILES: n1c2c(C(=O)O)cccc2ccc1c1nc2c(cc1)cccc2
• Canonical SMILES: OC(=O)c1cccc2c1nc(cc2)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C19H12N2O2/c22-19(23)14-6-3-5-13-9-11-17(21-18(13)14)16-10-8-12-4-1-2-7-15(12)20-16/h1-11H,(H,22,23)
• InChIKey: HNUYHMNCFUCGCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-2-yl)quinoline-8-carboxylic acid
• IUPAC Traditional name: 2-(quinolin-2-yl)quinoline-8-carboxylic acid

Database IDs

• PubChem SID: 164255183
• PubChem CID: 908037

CALCULATED PROPERTIES

• Acid pKa: 3.1931078
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8596579
• LogD (pH = 7.4): 0.88522565
• Log P: 3.8823397
• Molar Refractivity: 85.549 cm^3
• Polarizability: 37.000687 Å^3
• Polar Surface Area: 63.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds