6-methoxy-N-[1-(methoxymethyl)cyclopentyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 650759
• Molecular Formular: C18H24N2O4
• Molecular Mass: 332.39416
• Monoisotopic Mass: 332.17360726
• SMILES: C(=O)(C1c2c(NC(=O)C1)ccc(c2)OC)NC1(COC)CCCC1
• Canonical SMILES: COCC1(CCCC1)NC(=O)C1CC(=O)Nc2c1cc(OC)cc2
• InChI: InChI=1S/C18H24N2O4/c1-23-11-18(7-3-4-8-18)20-17(22)14-10-16(21)19-15-6-5-12(24-2)9-13(14)15/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3,(H,19,21)(H,20,22)
• InChIKey: FDMXXHMUYGCNSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-[1-(methoxymethyl)cyclopentyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-N-[1-(methoxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-N-[1-(methoxymethyl)cyclopentyl]-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.515213
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2299206
• LogD (pH = 7.4): 1.2299203
• Log P: 1.2299206
• Molar Refractivity: 90.9542 cm^3
• Polarizability: 34.76509 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.81
• LOG S: -2.32
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5