N-(1,4-dioxan-2-ylmethyl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide

• ChemBase ID: 720761
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(C(=O)N(CC2OCCOC2)C)c2c(nc(c1)C)ccc(c2)CC
• Canonical SMILES: CN(C(=O)c1cc(C)nc2c1cc(CC)cc2)CC1COCCO1
• InChI: InChI=1S/C19H24N2O3/c1-4-14-5-6-18-16(10-14)17(9-13(2)20-18)19(22)21(3)11-15-12-23-7-8-24-15/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3
• InChIKey: HIAOOMPIGOROSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,4-dioxan-2-ylmethyl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
• IUPAC Traditional name: N-(1,4-dioxan-2-ylmethyl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
• Synonyms: N-(1,4-dioxan-2-ylmethyl)-6-ethyl-N,2-dimethyl-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3075237
• LogD (pH = 7.4): 2.3124807
• Log P: 2.3125443
• Molar Refractivity: 92.873 cm^3
• Polarizability: 36.84985 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.69
• LOG S: -3.04
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4