2-(4,7-dimethoxy-1-methyl-1H-indole-2-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

• ChemBase ID: 225625
• Molecular Formular: C23H26N2O5
• Molecular Mass: 410.46294
• Monoisotopic Mass: 410.18417194
• SMILES: c1(n(c2c(c1)c(ccc2OC)OC)C)C(=O)N1Cc2c(cc(c(c2)OC)OC)CC1
• Canonical SMILES: COc1cc2CCN(Cc2cc1OC)C(=O)c1cc2c(n1C)c(OC)ccc2OC
• InChI: InChI=1S/C23H26N2O5/c1-24-17(12-16-18(27-2)6-7-19(28-3)22(16)24)23(26)25-9-8-14-10-20(29-4)21(30-5)11-15(14)13-25/h6-7,10-12H,8-9,13H2,1-5H3
• InChIKey: PJLJTHCPVHHXCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281535
• PubChem CID: 71753406

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.647354
• LogD (pH = 7.4): 2.647354
• Log P: 2.647354
• Molar Refractivity: 114.5655 cm^3
• Polarizability: 44.59355 Å^3
• Polar Surface Area: 62.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds