N-ethyl-2,8-dimethyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

• ChemBase ID: 586567
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(C(=O)N(CC2OCCC2)CC)c2c(nc(c1)C)c(ccc2)C
• Canonical SMILES: CCN(C(=O)c1cc(C)nc2c1cccc2C)CC1CCCO1
• InChI: InChI=1S/C19H24N2O2/c1-4-21(12-15-8-6-10-23-15)19(22)17-11-14(3)20-18-13(2)7-5-9-16(17)18/h5,7,9,11,15H,4,6,8,10,12H2,1-3H3
• InChIKey: PZZMVDFLZRZNNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,8-dimethyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
• IUPAC Traditional name: N-ethyl-2,8-dimethyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
• Synonyms: N-ethyl-2,8-dimethyl-N-(tetrahydrofuran-2-ylmethyl)quinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8452396
• LogD (pH = 7.4): 2.8490329
• Log P: 2.8490815
• Molar Refractivity: 91.4871 cm^3
• Polarizability: 36.172905 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.29
• LOG S: -4.29
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4