2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N-(2-hydroxyethyl)acetamide

• ChemBase ID: 183797
• Molecular Formular: C13H14N2O4
• Molecular Mass: 262.26126
• Monoisotopic Mass: 262.09535694
• SMILES: c1(c(c2c([nH]c1=O)cccc2)O)CC(=O)NCCO
• Canonical SMILES: OCCNC(=O)Cc1c(=O)[nH]c2c(c1O)cccc2
• InChI: InChI=1S/C13H14N2O4/c16-6-5-14-11(17)7-9-12(18)8-3-1-2-4-10(8)15-13(9)19/h1-4,16H,5-7H2,(H,14,17)(H2,15,18,19)
• InChIKey: GUYPZTIVSAVCAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N-(2-hydroxyethyl)acetamide
• IUPAC Traditional name: 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-(2-hydroxyethyl)acetamide

Database IDs

• PubChem SID: 164239707
• PubChem CID: 54690359

CALCULATED PROPERTIES

• Acid pKa: 7.0883937
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.92094177
• LogD (pH = 7.4): -1.3927807
• Log P: -0.9098957
• Molar Refractivity: 70.8062 cm^3
• Polarizability: 26.012121 Å^3
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds