N-(4-hydroxy-2-methyl-3-propylquinolin-6-yl)acetamide

• ChemBase ID: 182274
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: c12c(c(c(nc1ccc(c2)NC(=O)C)C)CCC)O
• Canonical SMILES: CCCc1c(C)nc2c(c1O)cc(cc2)NC(=O)C
• InChI: InChI=1S/C15H18N2O2/c1-4-5-12-9(2)16-14-7-6-11(17-10(3)18)8-13(14)15(12)19/h6-8H,4-5H2,1-3H3,(H,16,19)(H,17,18)
• InChIKey: RIIBSOMEXJQUII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxy-2-methyl-3-propylquinolin-6-yl)acetamide
• IUPAC Traditional name: N-(4-hydroxy-2-methyl-3-propylquinolin-6-yl)acetamide

Database IDs

• PubChem SID: 164238184
• PubChem CID: 869188

CALCULATED PROPERTIES

• Polarizability: 29.640318 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 11.022178
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5952983
• LogD (pH = 7.4): 2.5988252
• Log P: 2.5989745
• Molar Refractivity: 75.6579 cm^3

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds