8-fluoro-N-methyl-N-[3-(piperidin-1-yl)propyl]quinoline-2-carboxamide

• ChemBase ID: 420156
• Molecular Formular: C19H24FN3O
• Molecular Mass: 329.4117632
• Monoisotopic Mass: 329.19034062
• SMILES: n1c(C(=O)N(CCCN2CCCCC2)C)ccc2c1c(F)ccc2
• Canonical SMILES: CN(C(=O)c1ccc2c(n1)c(F)ccc2)CCCN1CCCCC1
• InChI: InChI=1S/C19H24FN3O/c1-22(11-6-14-23-12-3-2-4-13-23)19(24)17-10-9-15-7-5-8-16(20)18(15)21-17/h5,7-10H,2-4,6,11-14H2,1H3
• InChIKey: UPRLLSQFKOMHBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-N-methyl-N-[3-(piperidin-1-yl)propyl]quinoline-2-carboxamide
• IUPAC Traditional name: 8-fluoro-N-methyl-N-[3-(piperidin-1-yl)propyl]quinoline-2-carboxamide
• Synonyms: 8-fluoro-N-methyl-N-[3-(1-piperidinyl)propyl]-2-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.36711693
• LogD (pH = 7.4): 1.1702473
• Log P: 2.8864155
• Molar Refractivity: 93.722 cm^3
• Polarizability: 36.807587 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.03
• LOG S: -2.27
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5