5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide

C22H23N3O4 — CID 71825514

IUPAC5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCn3ccc4c(OC)cccc43)[nH]c2cc1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-6-4-5-18-15(19)7-9-25(18)10-8-23-22(26)17-11-14-12-20(28-2)21(29-3)13-16(14)24-17/h4-7,9,11-13,24H,8,10H2,1-3H3,(H,23,26)
InChIKeyLOSABDLWEOSTTE-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.58
Rot. Bonds7

About 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide

5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 71825514) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID71825514
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCn3ccc4c(OC)cccc43)[nH]c2cc1OC
InChIInChI=1S/C22H23N3O4/c1-27-19-6-4-5-18-15(19)7-9-25(18)10-8-23-22(26)17-11-14-12-20(28-2)21(29-3)13-16(14)24-17/h4-7,9,11-13,24H,8,10H2,1-3H3,(H,23,26)
InChIKeyLOSABDLWEOSTTE-UHFFFAOYSA-N
XLogP3.58
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyindol-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 56698870
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
N-[2-(4-methoxyindol-1-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
CID 91638636
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(4-methoxyindol-1-yl)ethyl]acetamide
CID 91640593
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
1-heptyl-4-methoxyindole
CID 83174164
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]acetate;hydrochloride
CID 44663549
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 7678004

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide (CID 71825514) is 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NCCn3ccc4c(OC)cccc43)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LOSABDLWEOSTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-6-4-5-18-15(19)7-9-25(18)10-8-23-22(26)17-11-14-12-20(28-2)21(29-3)13-16(14)24-17/h4-7,9,11-13,24H,8,10H2,1-3H3,(H,23,26).
What are the key properties of 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide?
5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71825514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).