N-(2-methoxyethyl)-2,7-dimethyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide

• ChemBase ID: 317940
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: C(=O)(c1c2c(nc(c1)C)cc(cc2)C)N(C1CCN(CC1)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1cc(C)nc2c1ccc(c2)C)C1CCN(CC1)C
• InChI: InChI=1S/C21H29N3O2/c1-15-5-6-18-19(14-16(2)22-20(18)13-15)21(25)24(11-12-26-4)17-7-9-23(3)10-8-17/h5-6,13-14,17H,7-12H2,1-4H3
• InChIKey: LPGNWNPAAKYAMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2,7-dimethyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2,7-dimethyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide
• Synonyms: N-(2-methoxyethyl)-2,7-dimethyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.770726
• LogD (pH = 7.4): 0.9993992
• Log P: 2.053515
• Molar Refractivity: 104.9784 cm^3
• Polarizability: 41.384712 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.1
• LOG S: -3.58
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5