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

C20H20N2O3 — CID 54576096

IUPAC4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole
SMILESCOc1cc2c(ccn2-c2cccc3c2ccn3C)c(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-21-10-8-13-15(21)6-5-7-16(13)22-11-9-14-17(22)12-18(23-2)20(25-4)19(14)24-3/h5-12H,1-4H3
InChIKeyDDEFMRHKLJXBIQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.15
Rot. Bonds4

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

4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole (PubChem CID 54576096) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole.

Molecular Properties

Compound Name4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole
PubChem CID54576096
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole
SMILESCOc1cc2c(ccn2-c2cccc3c2ccn3C)c(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-21-10-8-13-15(21)6-5-7-16(13)22-11-9-14-17(22)12-18(23-2)20(25-4)19(14)24-3/h5-12H,1-4H3
InChIKeyDDEFMRHKLJXBIQ-UHFFFAOYSA-N
XLogP4.15
TPSA37.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole?
The IUPAC name of 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole (CID 54576096) is 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole.
What is the SMILES notation for 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole?
The canonical SMILES for 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole is COc1cc2c(ccn2-c2cccc3c2ccn3C)c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole?
The InChIKey is DDEFMRHKLJXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-21-10-8-13-15(21)6-5-7-16(13)22-11-9-14-17(22)12-18(23-2)20(25-4)19(14)24-3/h5-12H,1-4H3.
What are the key properties of 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole?
4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole has a molecular weight of 336.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-1-(1-methylindol-4-yl)indole is sourced from PubChem (CID 54576096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).