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

• ChemBase ID: 602603
• Molecular Formular: C18H24N2O4
• Molecular Mass: 332.39416
• Monoisotopic Mass: 332.17360726
• SMILES: c12NC(=O)CC(C(=O)NC3(COC)CCCC3)c1cccc2OC
• Canonical SMILES: COCC1(CCCC1)NC(=O)C1CC(=O)Nc2c1cccc2OC
• InChI: InChI=1S/C18H24N2O4/c1-23-11-18(8-3-4-9-18)20-17(22)13-10-15(21)19-16-12(13)6-5-7-14(16)24-2/h5-7,13H,3-4,8-11H2,1-2H3,(H,19,21)(H,20,22)
• InChIKey: PXGSRNQTMWVXDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-N-[1-(methoxymethyl)cyclopentyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 8-methoxy-N-[1-(methoxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 8-methoxy-N-[1-(methoxymethyl)cyclopentyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.19317
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2299205
• LogD (pH = 7.4): 1.229914
• Log P: 1.2299206
• Molar Refractivity: 90.9542 cm^3
• Polarizability: 34.767044 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: 0.69
• LOG S: -2.21
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 5