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

• ChemBase ID: 487449
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: n1c(onc1CC1CC1)CN(Cc1nc2c(cc1)cccc2)C
• Canonical SMILES: CN(Cc1ccc2c(n1)cccc2)Cc1onc(n1)CC1CC1
• InChI: InChI=1S/C18H20N4O/c1-22(12-18-20-17(21-23-18)10-13-6-7-13)11-15-9-8-14-4-2-3-5-16(14)19-15/h2-5,8-9,13H,6-7,10-12H2,1H3
• InChIKey: JNSUSSNUMQDPEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.090719
• LogD (pH = 7.4): 3.3454356
• Log P: 3.3498762
• Molar Refractivity: 89.1542 cm^3
• Polarizability: 35.258877 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.23
• LOG S: -2.63
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6