4-[(4,6-dimethylquinolin-2-yl)amino]-N-ethylpiperidine-1-carboxamide

• ChemBase ID: 725574
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: C(=O)(N1CCC(Nc2nc3c(c(c2)C)cc(cc3)C)CC1)NCC
• Canonical SMILES: CCNC(=O)N1CCC(CC1)Nc1cc(C)c2c(n1)ccc(c2)C
• InChI: InChI=1S/C19H26N4O/c1-4-20-19(24)23-9-7-15(8-10-23)21-18-12-14(3)16-11-13(2)5-6-17(16)22-18/h5-6,11-12,15H,4,7-10H2,1-3H3,(H,20,24)(H,21,22)
• InChIKey: GPHSKNRMHBYMED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4,6-dimethylquinolin-2-yl)amino]-N-ethylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[(4,6-dimethylquinolin-2-yl)amino]-N-ethylpiperidine-1-carboxamide
• Synonyms: 4-[(4,6-dimethylquinolin-2-yl)amino]-N-ethylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.292482
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.449669
• LogD (pH = 7.4): 2.6110065
• Log P: 2.725618
• Molar Refractivity: 98.6133 cm^3
• Polarizability: 37.96338 Å^3
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.4
• LOG S: -4.49
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 3