N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 840890
• Molecular Formular: C27H31N5O5
• Molecular Mass: 505.56554
• Monoisotopic Mass: 505.23251912
• SMILES: c1(n(nc(c1)C)C)C(=O)N(Cc1c(nc2c(c1)c(ccc2OC)OC)N1CCOCC1)Cc1occc1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)c1cc(nn1C)C)Cc1ccco1)c(n2)N1CCOCC1)OC
• InChI: InChI=1S/C27H31N5O5/c1-18-14-22(30(2)29-18)27(33)32(17-20-6-5-11-37-20)16-19-15-21-23(34-3)7-8-24(35-4)25(21)28-26(19)31-9-12-36-13-10-31/h5-8,11,14-15H,9-10,12-13,16-17H2,1-4H3
• InChIKey: JDVHWKBINGOJPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-{[5,8-dimethoxy-2-(morpholin-4-yl)quinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
• Synonyms: N-{[5,8-dimethoxy-2-(4-morpholinyl)-3-quinolinyl]methyl}-N-(2-furylmethyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.5643275
• LogD (pH = 7.4): 2.585696
• Log P: 2.5859756
• Molar Refractivity: 150.5826 cm^3
• Polarizability: 53.363876 Å^3
• Polar Surface Area: 95.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 3.19
• LOG S: -4.29
• Polar Surface Area: 95.09 Å^2
• Rotatable Bonds: 6