4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole

C21H22N2O4 — CID 54768183

IUPAC4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole
SMILESCOc1ccc2c(-n3ccc4c(OC)c(OC)c(OC)cc43)cn(C)c2c1
InChIInChI=1S/C21H22N2O4/c1-22-12-18(14-7-6-13(24-2)10-16(14)22)23-9-8-15-17(23)11-19(25-3)21(27-5)20(15)26-4/h6-12H,1-5H3
InChIKeyLNQLIVKNAOVKBA-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.16
Rot. Bonds5

About 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole

4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole (PubChem CID 54768183) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole.

Molecular Properties

Compound Name4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole
PubChem CID54768183
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole
SMILESCOc1ccc2c(-n3ccc4c(OC)c(OC)c(OC)cc43)cn(C)c2c1
InChIInChI=1S/C21H22N2O4/c1-22-12-18(14-7-6-13(24-2)10-16(14)22)23-9-8-15-17(23)11-19(25-3)21(27-5)20(15)26-4/h6-12H,1-5H3
InChIKeyLNQLIVKNAOVKBA-UHFFFAOYSA-N
XLogP4.16
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
5-(4,5,6-trimethoxyindol-1-yl)quinoline
CID 54768224
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
CID 101049424
3-acetyl-6-methoxy-1-methylindole-2-carboxylic acid
CID 84632711
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
3,7-dimethoxy-9-methylpyrido[3,4-b]indole
CID 90455764
7-methoxy-9-methylcarbazole-2-carbonitrile
CID 10847401
3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717812

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole?
The IUPAC name of 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole (CID 54768183) is 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole.
What is the SMILES notation for 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole?
The canonical SMILES for 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole is COc1ccc2c(-n3ccc4c(OC)c(OC)c(OC)cc43)cn(C)c2c1.
What is the InChIKey of 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole?
The InChIKey is LNQLIVKNAOVKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-22-12-18(14-7-6-13(24-2)10-16(14)22)23-9-8-15-17(23)11-19(25-3)21(27-5)20(15)26-4/h6-12H,1-5H3.
What are the key properties of 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole?
4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole has a molecular weight of 366.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole is sourced from PubChem (CID 54768183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).