N-(1H-indol-6-yl)-4,7-dimethoxy-1-methyl-1H-indole-2-carboxamide

• ChemBase ID: 225821
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: n1(c(cc2c1c(ccc2OC)OC)C(=O)Nc1cc2[nH]ccc2cc1)C
• Canonical SMILES: COc1ccc(c2c1n(C)c(c2)C(=O)Nc1ccc2c(c1)[nH]cc2)OC
• InChI: InChI=1S/C20H19N3O3/c1-23-16(11-14-17(25-2)6-7-18(26-3)19(14)23)20(24)22-13-5-4-12-8-9-21-15(12)10-13/h4-11,21H,1-3H3,(H,22,24)
• InChIKey: JKDNOHGLQGCZOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-6-yl)-4,7-dimethoxy-1-methyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-(1H-indol-6-yl)-4,7-dimethoxy-1-methylindole-2-carboxamide

Database IDs

• PubChem SID: 164281731
• PubChem CID: 71753590

CALCULATED PROPERTIES

• Acid pKa: 12.3804865
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.090989
• LogD (pH = 7.4): 3.090985
• Log P: 3.0909894
• Molar Refractivity: 101.4651 cm^3
• Polarizability: 40.178535 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds