N-(6-methoxyquinolin-8-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 489055
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: n1c(noc1C)C1CN(C(=O)Nc2c3c(cc(c2)OC)cccn3)CCC1
• Canonical SMILES: COc1cc(NC(=O)N2CCCC(C2)c2noc(n2)C)c2c(c1)cccn2
• InChI: InChI=1S/C19H21N5O3/c1-12-21-18(23-27-12)14-6-4-8-24(11-14)19(25)22-16-10-15(26-2)9-13-5-3-7-20-17(13)16/h3,5,7,9-10,14H,4,6,8,11H2,1-2H3,(H,22,25)
• InChIKey: SYAILZBBCVCJPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxyquinolin-8-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(6-methoxyquinolin-8-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(6-methoxyquinolin-8-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.560233
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.3621495
• LogD (pH = 7.4): 2.366466
• Log P: 2.366551
• Molar Refractivity: 101.099 cm^3
• Polarizability: 38.58963 Å^3
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.59
• LOG S: -4.09
• Polar Surface Area: 93.38 Å^2
• Rotatable Bonds: 3