N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide

• ChemBase ID: 604451
• Molecular Formular: C20H21FN4O2
• Molecular Mass: 368.4047432
• Monoisotopic Mass: 368.16485415
• SMILES: n1c(onc1CCNC(=O)c1c2c(nc(c1)C)cc(cc2)F)C1CCCC1
• Canonical SMILES: Fc1ccc2c(c1)nc(cc2C(=O)NCCc1noc(n1)C1CCCC1)C
• InChI: InChI=1S/C20H21FN4O2/c1-12-10-16(15-7-6-14(21)11-17(15)23-12)19(26)22-9-8-18-24-20(27-25-18)13-4-2-3-5-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,22,26)
• InChIKey: ZPOODPIDNGVCBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
• IUPAC Traditional name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
• Synonyms: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methyl-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.042849
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4582253
• LogD (pH = 7.4): 3.4594772
• Log P: 3.4594932
• Molar Refractivity: 99.243 cm^3
• Polarizability: 38.00137 Å^3
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.95
• LOG S: -4.41
• Polar Surface Area: 80.91 Å^2
• Rotatable Bonds: 5