N-(3-hydroxyphenyl)-2-methoxyquinoline-4-carboxamide

• ChemBase ID: 192128
• Molecular Formular: C17H14N2O3
• Molecular Mass: 294.30466
• Monoisotopic Mass: 294.10044232
• SMILES: C(=O)(c1c2c(nc(c1)OC)cccc2)Nc1cc(O)ccc1
• Canonical SMILES: COc1nc2ccccc2c(c1)C(=O)Nc1cccc(c1)O
• InChI: InChI=1S/C17H14N2O3/c1-22-16-10-14(13-7-2-3-8-15(13)19-16)17(21)18-11-5-4-6-12(20)9-11/h2-10,20H,1H3,(H,18,21)
• InChIKey: JSKUURRDBXSQRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-hydroxyphenyl)-2-methoxyquinoline-4-carboxamide
• IUPAC Traditional name: N-(3-hydroxyphenyl)-2-methoxyquinoline-4-carboxamide

Database IDs

• PubChem SID: 164248038
• PubChem CID: 705262

CALCULATED PROPERTIES

• Acid pKa: 9.22552
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.3559244
• LogD (pH = 7.4): 3.3496058
• Log P: 3.3560061
• Molar Refractivity: 84.2704 cm^3
• Polarizability: 32.683346 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds