N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(4-oxo-1,4-dihydroquinolin-1-yl)acetamide

• ChemBase ID: 527534
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: n1(c2c(c(=O)cc1)cccc2)CC(=O)NCCC1CN(CCC1)C
• Canonical SMILES: CN1CCCC(C1)CCNC(=O)Cn1ccc(=O)c2c1cccc2
• InChI: InChI=1S/C19H25N3O2/c1-21-11-4-5-15(13-21)8-10-20-19(24)14-22-12-9-18(23)16-6-2-3-7-17(16)22/h2-3,6-7,9,12,15H,4-5,8,10-11,13-14H2,1H3,(H,20,24)
• InChIKey: FSRLHLDNLZVYMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(4-oxo-1,4-dihydroquinolin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
• Synonyms: N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(4-oxoquinolin-1(4H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.664055
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7460277
• LogD (pH = 7.4): -0.38870972
• Log P: 1.6125547
• Molar Refractivity: 96.9271 cm^3
• Polarizability: 36.49047 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.54
• LOG S: -2.05
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 5