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

• ChemBase ID: 226803
• Molecular Formular: C23H26N2O4
• Molecular Mass: 394.46354
• Monoisotopic Mass: 394.18925732
• SMILES: N1(C(=O)c2c3ccn(c3ccc2)CCOC)Cc2c(cc(c(c2)OC)OC)CC1
• Canonical SMILES: COCCn1ccc2c1cccc2C(=O)N1CCc2c(C1)cc(c(c2)OC)OC
• InChI: InChI=1S/C23H26N2O4/c1-27-12-11-24-10-8-18-19(5-4-6-20(18)24)23(26)25-9-7-16-13-21(28-2)22(29-3)14-17(16)15-25/h4-6,8,10,13-14H,7,9,11-12,15H2,1-3H3
• InChIKey: DLOOXDHYWBSLLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282713
• PubChem CID: 71753955

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: 43.923107 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