N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-2,6-dimethylquinoline-3-carboxamide

• ChemBase ID: 514585
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(C(=O)NC(c2n(ncc2)C)COC)c(nc2c(c1)cc(cc2)C)C
• Canonical SMILES: COCC(c1ccnn1C)NC(=O)c1cc2cc(C)ccc2nc1C
• InChI: InChI=1S/C19H22N4O2/c1-12-5-6-16-14(9-12)10-15(13(2)21-16)19(24)22-17(11-25-4)18-7-8-20-23(18)3/h5-10,17H,11H2,1-4H3,(H,22,24)
• InChIKey: FQWGXNKWIRZINA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-2,6-dimethylquinoline-3-carboxamide
• IUPAC Traditional name: N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,6-dimethylquinoline-3-carboxamide
• Synonyms: N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]-2,6-dimethylquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.719239
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9194286
• LogD (pH = 7.4): 1.9349328
• Log P: 1.9351343
• Molar Refractivity: 107.6943 cm^3
• Polarizability: 37.679455 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.97
• LOG S: -3.35
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 5