N-[1-(2,7,8-trimethylquinoline-4-carbonyl)piperidin-4-yl]pyridin-2-amine

• ChemBase ID: 526532
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: c1(C(=O)N2CCC(Nc3ncccc3)CC2)c2c(nc(c1)C)c(c(cc2)C)C
• Canonical SMILES: Cc1cc(C(=O)N2CCC(CC2)Nc2ccccn2)c2c(n1)c(C)c(cc2)C
• InChI: InChI=1S/C23H26N4O/c1-15-7-8-19-20(14-16(2)25-22(19)17(15)3)23(28)27-12-9-18(10-13-27)26-21-6-4-5-11-24-21/h4-8,11,14,18H,9-10,12-13H2,1-3H3,(H,24,26)
• InChIKey: UQQPBFIMWRUFQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,7,8-trimethylquinoline-4-carbonyl)piperidin-4-yl]pyridin-2-amine
• IUPAC Traditional name: N-[1-(2,7,8-trimethylquinoline-4-carbonyl)piperidin-4-yl]pyridin-2-amine
• Synonyms: N-{1-[(2,7,8-trimethyl-4-quinolinyl)carbonyl]-4-piperidinyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2485232
• LogD (pH = 7.4): 3.1839602
• Log P: 3.2465515
• Molar Refractivity: 113.3964 cm^3
• Polarizability: 43.407917 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.04
• LOG S: -4.53
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3