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

• ChemBase ID: 449071
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(nc(on1)CCCOc1ccccc1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)CCCOc1ccccc1)CCNC2
• InChI: InChI=1S/C20H22N4O2/c1-14-19(17-9-10-21-12-15(17)13-22-14)20-23-18(26-24-20)8-5-11-25-16-6-3-2-4-7-16/h2-4,6-7,13,21H,5,8-12H2,1H3
• InChIKey: UYBFBOFKYJXDGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.2736708
• LogD (pH = 7.4): 1.2862253
• Log P: 2.8330717
• Molar Refractivity: 110.9346 cm^3
• Polarizability: 38.540714 Å^3
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.01
• LOG S: -2.46
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 6