6-butyl-3-(pyrrolidine-1-carbonyl)quinolin-4-ol

• ChemBase ID: 224243
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: c1(C(=O)N2CCCC2)c(c2c(nc1)ccc(c2)CCCC)O
• Canonical SMILES: CCCCc1ccc2c(c1)c(O)c(cn2)C(=O)N1CCCC1
• InChI: InChI=1S/C18H22N2O2/c1-2-3-6-13-7-8-16-14(11-13)17(21)15(12-19-16)18(22)20-9-4-5-10-20/h7-8,11-12H,2-6,9-10H2,1H3,(H,19,21)
• InChIKey: JLUFFQOYHIMKGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-butyl-3-(pyrrolidine-1-carbonyl)quinolin-4-ol
• IUPAC Traditional name: 6-butyl-3-(pyrrolidine-1-carbonyl)quinolin-4-ol

Database IDs

• PubChem SID: 164280153
• PubChem CID: 51052227

CALCULATED PROPERTIES

• Acid pKa: 9.126455
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.0280333
• LogD (pH = 7.4): 4.020337
• Log P: 4.0282526
• Molar Refractivity: 87.2172 cm^3
• Polarizability: 34.31524 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds