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

• ChemBase ID: 505659
• Molecular Formular: C28H33N5O5
• Molecular Mass: 519.59212
• Monoisotopic Mass: 519.24816918
• SMILES: n1(nc(cc1C)C)CC(=O)N(Cc1c(nc2c(c1)c(ccc2OC)OC)N1CCOCC1)Cc1occc1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)Cn1nc(cc1C)C)Cc1ccco1)c(n2)N1CCOCC1)OC
• InChI: InChI=1S/C28H33N5O5/c1-19-14-20(2)33(30-19)18-26(34)32(17-22-6-5-11-38-22)16-21-15-23-24(35-3)7-8-25(36-4)27(23)29-28(21)31-9-12-37-13-10-31/h5-8,11,14-15H,9-10,12-13,16-18H2,1-4H3
• InChIKey: AZTAADMQBSPCFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.6618855
• LogD (pH = 7.4): 2.6856263
• Log P: 2.6859362
• Molar Refractivity: 154.6832 cm^3
• Polarizability: 55.409515 Å^3
• Polar Surface Area: 95.09 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 3.96
• LOG S: -4.93
• Polar Surface Area: 95.09 Å^2
• Rotatable Bonds: 7