7-methoxy-N,N-dimethyl-2-[1-(3-methylpyridin-4-yl)-1H-pyrazol-4-yl]quinoline-4-carboxamide

• ChemBase ID: 721929
• Molecular Formular: C22H21N5O2
• Molecular Mass: 387.43444
• Monoisotopic Mass: 387.16952494
• SMILES: n1(ncc(c1)c1nc2c(c(C(=O)N(C)C)c1)ccc(c2)OC)c1c(cncc1)C
• Canonical SMILES: COc1ccc2c(c1)nc(cc2C(=O)N(C)C)c1cnn(c1)c1ccncc1C
• InChI: InChI=1S/C22H21N5O2/c1-14-11-23-8-7-21(14)27-13-15(12-24-27)19-10-18(22(28)26(2)3)17-6-5-16(29-4)9-20(17)25-19/h5-13H,1-4H3
• InChIKey: KIKVEVPGANWLLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-N,N-dimethyl-2-[1-(3-methylpyridin-4-yl)-1H-pyrazol-4-yl]quinoline-4-carboxamide
• IUPAC Traditional name: 7-methoxy-N,N-dimethyl-2-[1-(3-methylpyridin-4-yl)pyrazol-4-yl]quinoline-4-carboxamide
• Synonyms: 7-methoxy-N,N-dimethyl-2-[1-(3-methylpyridin-4-yl)-1H-pyrazol-4-yl]quinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7123703
• LogD (pH = 7.4): 2.1417222
• Log P: 2.6858647
• Molar Refractivity: 111.3245 cm^3
• Polarizability: 44.915882 Å^3
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.1
• LOG S: -4.67
• Polar Surface Area: 73.14 Å^2
• Rotatable Bonds: 4