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

• ChemBase ID: 227254
• Molecular Formular: C23H26N2O4
• Molecular Mass: 394.46354
• Monoisotopic Mass: 394.18925732
• SMILES: c1(C(=O)N2Cc3c(cc(c(c3)OC)OC)CC2)cn(c2c1cccc2)CCOC
• Canonical SMILES: COCCn1cc(c2c1cccc2)C(=O)N1CCc2c(C1)cc(c(c2)OC)OC
• InChI: InChI=1S/C23H26N2O4/c1-27-11-10-24-15-19(18-6-4-5-7-20(18)24)23(26)25-9-8-16-12-21(28-2)22(29-3)13-17(16)14-25/h4-7,12-13,15H,8-11,14H2,1-3H3
• InChIKey: ONLXAPHLIAOPCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283164
• PubChem CID: 71754385

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9957197
• LogD (pH = 7.4): 2.99572
• Log P: 2.99572
• Molar Refractivity: 112.8051 cm^3
• Polarizability: 43.925655 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