N,N-diethyl-2-(2-ethylpyrimidin-5-yl)-5,7-dimethylquinoline-4-carboxamide

• ChemBase ID: 861673
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(C(=O)N(CC)CC)c2c(nc(c1)c1cnc(nc1)CC)cc(cc2C)C
• Canonical SMILES: CCc1ncc(cn1)c1nc2cc(C)cc(c2c(c1)C(=O)N(CC)CC)C
• InChI: InChI=1S/C22H26N4O/c1-6-20-23-12-16(13-24-20)18-11-17(22(27)26(7-2)8-3)21-15(5)9-14(4)10-19(21)25-18/h9-13H,6-8H2,1-5H3
• InChIKey: HCXVNLPBGSCXLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(2-ethylpyrimidin-5-yl)-5,7-dimethylquinoline-4-carboxamide
• IUPAC Traditional name: N,N-diethyl-2-(2-ethylpyrimidin-5-yl)-5,7-dimethylquinoline-4-carboxamide
• Synonyms: N,N-diethyl-2-(2-ethylpyrimidin-5-yl)-5,7-dimethylquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3496494
• LogD (pH = 7.4): 4.35
• Log P: 4.350004
• Molar Refractivity: 109.1105 cm^3
• Polarizability: 43.510468 Å^3
• Polar Surface Area: 58.98 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: 3.71
• LOG S: -5.01
• Polar Surface Area: 58.98 Å^2
• Rotatable Bonds: 5