N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxo-1,2-dihydroquinolin-1-yl)acetamide

• ChemBase ID: 670190
• Molecular Formular: C18H19N3O2S
• Molecular Mass: 341.42736
• Monoisotopic Mass: 341.11979786
• SMILES: n1(c(=O)ccc2c1cccc2)CC(=O)N(CCc1c(ncs1)C)C
• Canonical SMILES: CN(C(=O)Cn1c(=O)ccc2c1cccc2)CCc1scnc1C
• InChI: InChI=1S/C18H19N3O2S/c1-13-16(24-12-19-13)9-10-20(2)18(23)11-21-15-6-4-3-5-14(15)7-8-17(21)22/h3-8,12H,9-11H2,1-2H3
• InChIKey: MPPMPDOVPJJBPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxo-1,2-dihydroquinolin-1-yl)acetamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoquinolin-1-yl)acetamide
• Synonyms: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoquinolin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.302551
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5150101
• LogD (pH = 7.4): 1.5153338
• Log P: 1.515338
• Molar Refractivity: 95.1573 cm^3
• Polarizability: 35.70451 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.6
• LOG S: -3.06
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 5