methyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl](quinolin-2-ylmethyl)amine

• ChemBase ID: 581398
• Molecular Formular: C15H16N4O
• Molecular Mass: 268.31374
• Monoisotopic Mass: 268.13241115
• SMILES: c1(nnc(o1)C)CN(Cc1nc2c(cc1)cccc2)C
• Canonical SMILES: CN(Cc1nnc(o1)C)Cc1ccc2c(n1)cccc2
• InChI: InChI=1S/C15H16N4O/c1-11-17-18-15(20-11)10-19(2)9-13-8-7-12-5-3-4-6-14(12)16-13/h3-8H,9-10H2,1-2H3
• InChIKey: KUDJGWDOQUCHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl](quinolin-2-ylmethyl)amine
• IUPAC Traditional name: methyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl](quinolin-2-ylmethyl)amine
• Synonyms: N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(quinolin-2-ylmethyl)methanamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.71
• LOG S: -1.61
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 77.3057 cm^3
• Polarizability: 30.46009 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7697901
• LogD (pH = 7.4): 1.0508426
• Log P: 1.0559132