6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6-dihydro-1,6-naphthyridin-5-one

• ChemBase ID: 626895
• Molecular Formular: C13H12N4O2
• Molecular Mass: 256.25998
• Monoisotopic Mass: 256.09602564
• SMILES: c1(=O)n(ccc2c1cccn2)Cc1nnc(o1)CC
• Canonical SMILES: CCc1nnc(o1)Cn1ccc2c(c1=O)cccn2
• InChI: InChI=1S/C13H12N4O2/c1-2-11-15-16-12(19-11)8-17-7-5-10-9(13(17)18)4-3-6-14-10/h3-7H,2,8H2,1H3
• InChIKey: RKXLBBVVUYYQPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6-dihydro-1,6-naphthyridin-5-one
• IUPAC Traditional name: 6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,6-naphthyridin-5-one
• Synonyms: 6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,6-naphthyridin-5(6H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.16360918
• LogD (pH = 7.4): 0.16653688
• Log P: 0.16657434
• Molar Refractivity: 69.6613 cm^3
• Polarizability: 25.25115 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.75
• LOG S: -1.71
• Polar Surface Area: 73.81 Å^2
• Rotatable Bonds: 3