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

C20H20N2O3 — CID 54768184

IUPAC4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole
SMILESCOc1cc2c(ccn2-c2ccc3c(ccn3C)c2)c(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-21-9-7-13-11-14(5-6-16(13)21)22-10-8-15-17(22)12-18(23-2)20(25-4)19(15)24-3/h5-12H,1-4H3
InChIKeyFSDGKBQHTFHLMA-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.15
Rot. Bonds4

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

4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole (PubChem CID 54768184) 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-5-yl)indole.

Molecular Properties

Compound Name4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole
PubChem CID54768184
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole
SMILESCOc1cc2c(ccn2-c2ccc3c(ccn3C)c2)c(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-21-9-7-13-11-14(5-6-16(13)21)22-10-8-15-17(22)12-18(23-2)20(25-4)19(15)24-3/h5-12H,1-4H3
InChIKeyFSDGKBQHTFHLMA-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

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Related Compounds

5,6,7-Trimethoxy-3-pyridin-4-yl-quinoline
CID 9994707
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
4-(2,3-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
CID 44331261
4,5,6-Trimethoxy-1-(1-methylindol-4-yl)indole
CID 54576096
6-(4,5,6-Trimethoxyindol-1-yl)quinoline
CID 54576097
4,5,6-Trimethoxy-1-(4-methoxyphenyl)indole
CID 54768148
5-Methoxy-2-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768149
2-Methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
CID 54768181
N,N-dimethyl-4-(4,5,6-trimethoxyindol-1-yl)aniline
CID 54768182
4,5,6-Trimethoxy-1-(6-methoxy-1-methylindol-3-yl)indole
CID 54768183
1-(1-Benzofuran-5-yl)-4,5,6-trimethoxyindole
CID 54768185

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole?
The IUPAC name of 4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole (CID 54768184) is 4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole.
What is the SMILES notation for 4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole?
The canonical SMILES for 4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole is COc1cc2c(ccn2-c2ccc3c(ccn3C)c2)c(OC)c1OC.
What is the InChIKey of 4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole?
The InChIKey is FSDGKBQHTFHLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-21-9-7-13-11-14(5-6-16(13)21)22-10-8-15-17(22)12-18(23-2)20(25-4)19(15)24-3/h5-12H,1-4H3.
What are the key properties of 4,5,6-trimethoxy-1-(1-methylindol-5-yl)indole?
4,5,6-trimethoxy-1-(1-methylindol-5-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-5-yl)indole is sourced from PubChem (CID 54768184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).