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

• ChemBase ID: 342503
• Molecular Formular: C20H18N4O2
• Molecular Mass: 346.38252
• Monoisotopic Mass: 346.14297584
• SMILES: c1(nc(c2c3oc(cc3ccc2)C)on1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1cc2c(o1)c(ccc2)c1onc(n1)c1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C20H18N4O2/c1-11-8-13-4-3-5-16(18(13)25-11)20-23-19(24-26-20)17-12(2)22-10-14-9-21-7-6-15(14)17/h3-5,8,10,21H,6-7,9H2,1-2H3
• InChIKey: MCWRYUWOTQMHNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-[5-(2-methyl-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-[5-(2-methyl-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-[5-(2-methyl-1-benzofuran-7-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): 0.048683964
• LogD (pH = 7.4): 1.609014
• Log P: 3.1549828
• Molar Refractivity: 120.1698 cm^3
• Polarizability: 39.274155 Å^3
• Polar Surface Area: 76.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.0
• LOG S: -3.28
• Polar Surface Area: 76.98 Å^2
• Rotatable Bonds: 2