N-(2-butyl-3-propylquinolin-4-yl)pentanamide

• ChemBase ID: 180996
• Molecular Formular: C21H30N2O
• Molecular Mass: 326.4757
• Monoisotopic Mass: 326.23581359
• SMILES: c1(c(c(nc2c1cccc2)CCCC)CCC)NC(=O)CCCC
• Canonical SMILES: CCCCC(=O)Nc1c(CCC)c(CCCC)nc2c1cccc2
• InChI: InChI=1S/C21H30N2O/c1-4-7-13-18-16(11-6-3)21(23-20(24)15-8-5-2)17-12-9-10-14-19(17)22-18/h9-10,12,14H,4-8,11,13,15H2,1-3H3,(H,22,23,24)
• InChIKey: IUXMOSBDHXXSMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-butyl-3-propylquinolin-4-yl)pentanamide
• IUPAC Traditional name: N-(2-butyl-3-propylquinolin-4-yl)pentanamide

Database IDs

• PubChem SID: 164236906
• PubChem CID: 1747809

CALCULATED PROPERTIES

• Acid pKa: 13.230322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.567005
• LogD (pH = 7.4): 6.0691905
• Log P: 6.0818863
• Molar Refractivity: 101.3348 cm^3
• Polarizability: 40.150578 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds