1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(2-methyl-1H-indol-1-yl)ethan-1-one

• ChemBase ID: 224369
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: n1(c(cc2c1cccc2)C)CC(=O)N1Cc2c(cc(c(c2)OC)OC)CC1
• Canonical SMILES: COc1cc2CN(CCc2cc1OC)C(=O)Cn1c(C)cc2c1cccc2
• InChI: InChI=1S/C22H24N2O3/c1-15-10-17-6-4-5-7-19(17)24(15)14-22(25)23-9-8-16-11-20(26-2)21(27-3)12-18(16)13-23/h4-7,10-12H,8-9,13-14H2,1-3H3
• InChIKey: IDOVAIFRODAKBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(2-methyl-1H-indol-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylindol-1-yl)ethanone

Database IDs

• PubChem SID: 164280279
• PubChem CID: 38446103

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.062657
• LogD (pH = 7.4): 3.062657
• Log P: 3.062657
• Molar Refractivity: 105.7397 cm^3
• Polarizability: 41.61418 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds