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

• ChemBase ID: 832647
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c1(C(=O)N2CCC(Nc3ncccc3)CC2)c2c(nc(c1)C)c(ccc2)C
• Canonical SMILES: Cc1cc(C(=O)N2CCC(CC2)Nc2ccccn2)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C22H24N4O/c1-15-6-5-7-18-19(14-16(2)24-21(15)18)22(27)26-12-9-17(10-13-26)25-20-8-3-4-11-23-20/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,23,25)
• InChIKey: HKAGCHZIMXYVBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7404879
• LogD (pH = 7.4): 2.6706076
• Log P: 2.7331302
• Molar Refractivity: 108.3552 cm^3
• Polarizability: 41.643368 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: 2.58
• LOG S: -4.03
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 3