6,7-dimethoxy-2-[1-(2-methoxyethyl)-1H-indole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

• ChemBase ID: 227927
• Molecular Formular: C23H26N2O4
• Molecular Mass: 394.46354
• Monoisotopic Mass: 394.18925732
• SMILES: c1(n(c2c(c1)cccc2)CCOC)C(=O)N1Cc2c(cc(c(c2)OC)OC)CC1
• Canonical SMILES: COCCn1c(cc2c1cccc2)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC
• InChI: InChI=1S/C23H26N2O4/c1-27-11-10-25-19-7-5-4-6-17(19)12-20(25)23(26)24-9-8-16-13-21(28-2)22(29-3)14-18(16)15-24/h4-7,12-14H,8-11,15H2,1-3H3
• InChIKey: YLABNTIUHIWGBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-[1-(2-methoxyethyl)-1H-indole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
• IUPAC Traditional name: 6,7-dimethoxy-2-[1-(2-methoxyethyl)indole-2-carbonyl]-3,4-dihydro-1H-isoquinoline

Database IDs

• PubChem SID: 164283837
• PubChem CID: 71755047

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9157207
• LogD (pH = 7.4): 2.915721
• Log P: 2.915721
• Molar Refractivity: 112.6826 cm^3
• Polarizability: 43.925705 Å^3
• Polar Surface Area: 52.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds