N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-3-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

• ChemBase ID: 569303
• Molecular Formular: C30H32N2O5S
• Molecular Mass: 532.65048
• Monoisotopic Mass: 532.20319313
• SMILES: C(=O)(c1c(ccs1)C)N(Cc1c(nc2c(c1)cc(c(c2)OC)OC)c1cc(OC)ccc1)CC1OCCC1
• Canonical SMILES: COc1cccc(c1)c1nc2cc(OC)c(cc2cc1CN(C(=O)c1sccc1C)CC1CCCO1)OC
• InChI: InChI=1S/C30H32N2O5S/c1-19-10-12-38-29(19)30(33)32(18-24-9-6-11-37-24)17-22-13-21-15-26(35-3)27(36-4)16-25(21)31-28(22)20-7-5-8-23(14-20)34-2/h5,7-8,10,12-16,24H,6,9,11,17-18H2,1-4H3
• InChIKey: ULQGTHGSLMXLLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-3-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl}-3-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• Synonyms: N-{[6,7-dimethoxy-2-(3-methoxyphenyl)-3-quinolinyl]methyl}-3-methyl-N-(tetrahydro-2-furanylmethyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.5443068
• LogD (pH = 7.4): 5.5581403
• Log P: 5.5583196
• Molar Refractivity: 147.8033 cm^3
• Polarizability: 59.301212 Å^3
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.72
• LOG S: -5.56
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 6