6-methyl-5-[5-(2-methylprop-1-en-1-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 632435
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: c1(nc(on1)C=C(C)C)c1c2c(cnc1C)CNCC2
• Canonical SMILES: CC(=Cc1onc(n1)c1c(C)ncc2c1CCNC2)C
• InChI: InChI=1S/C15H18N4O/c1-9(2)6-13-18-15(19-20-13)14-10(3)17-8-11-7-16-5-4-12(11)14/h6,8,16H,4-5,7H2,1-3H3
• InChIKey: QEEGDFAXNHCBBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-[5-(2-methylprop-1-en-1-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-[5-(2-methylprop-1-en-1-yl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-[5-(2-methylprop-1-en-1-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.71228874
• LogD (pH = 7.4): 0.8478777
• Log P: 2.3941708
• Molar Refractivity: 90.1213 cm^3
• Polarizability: 30.023811 Å^3
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.21
• LOG S: -2.05
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 2