2-[1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-phenylpyrrolo[2,1-a]isoquinolin-3-yl]-N,N-diethyl-2-oxoacetamide

• ChemBase ID: 215604
• Molecular Formular: C34H34N2O6
• Molecular Mass: 566.64356
• Monoisotopic Mass: 566.24168682
• SMILES: n12c(C(=O)C(=O)N(CC)CC)c(c(c1c1c(cc2)cc(c(c1)OC)OC)c1cc(c(cc1)OC)OC)c1ccccc1
• Canonical SMILES: CCN(C(=O)C(=O)c1n2ccc3c(c2c(c1c1ccccc1)c1ccc(c(c1)OC)OC)cc(c(c3)OC)OC)CC
• InChI: InChI=1S/C34H34N2O6/c1-7-35(8-2)34(38)33(37)32-29(21-12-10-9-11-13-21)30(23-14-15-25(39-3)26(19-23)40-4)31-24-20-28(42-6)27(41-5)18-22(24)16-17-36(31)32/h9-20H,7-8H2,1-6H3
• InChIKey: OSTNPFUVPZXNSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-phenylpyrrolo[2,1-a]isoquinolin-3-yl]-N,N-diethyl-2-oxoacetamide
• IUPAC Traditional name: 2-[1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-phenylpyrrolo[2,1-a]isoquinolin-3-yl]-N,N-diethyl-2-oxoacetamide

Database IDs

• PubChem SID: 164271514
• PubChem CID: 16406176

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.0542703
• LogD (pH = 7.4): 5.0542703
• Log P: 5.0542703
• Molar Refractivity: 163.9041 cm^3
• Polarizability: 66.72182 Å^3
• Polar Surface Area: 78.71 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds