N-(2-ethyl-3-methylquinolin-4-yl)pentanamide

• ChemBase ID: 180846
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: c1(c(c(nc2c1cccc2)CC)C)NC(=O)CCCC
• Canonical SMILES: CCCCC(=O)Nc1c(C)c(CC)nc2c1cccc2
• InChI: InChI=1S/C17H22N2O/c1-4-6-11-16(20)19-17-12(3)14(5-2)18-15-10-8-7-9-13(15)17/h7-10H,4-6,11H2,1-3H3,(H,18,19,20)
• InChIKey: BJHYUIHIKSTYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethyl-3-methylquinolin-4-yl)pentanamide
• IUPAC Traditional name: N-(2-ethyl-3-methylquinolin-4-yl)pentanamide

Database IDs

• PubChem SID: 164236756
• PubChem CID: 1747679

CALCULATED PROPERTIES

• Acid pKa: 13.287434
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7348974
• LogD (pH = 7.4): 4.2884407
• Log P: 4.3036113
• Molar Refractivity: 82.9308 cm^3
• Polarizability: 32.76445 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds