5,6,7-trimethoxy-1-methylindole

C12H15NO3 — CID 141308126

IUPAC5,6,7-trimethoxy-1-methylindole
SMILESCOc1cc2ccn(C)c2c(OC)c1OC
InChIInChI=1S/C12H15NO3/c1-13-6-5-8-7-9(14-2)11(15-3)12(16-4)10(8)13/h5-7H,1-4H3
InChIKeyVMPBSPOMPGPPNS-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.20
Rot. Bonds3

About 5,6,7-trimethoxy-1-methylindole

5,6,7-trimethoxy-1-methylindole (PubChem CID 141308126) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1-methylindole.

Molecular Properties

Compound Name5,6,7-trimethoxy-1-methylindole
PubChem CID141308126
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5,6,7-trimethoxy-1-methylindole
SMILESCOc1cc2ccn(C)c2c(OC)c1OC
InChIInChI=1S/C12H15NO3/c1-13-6-5-8-7-9(14-2)11(15-3)12(16-4)10(8)13/h5-7H,1-4H3
InChIKeyVMPBSPOMPGPPNS-UHFFFAOYSA-N
XLogP2.20
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6,7-trimethoxy-1-methylindole with MolForge

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

Launch Full Analysis

Related Compounds

2-(5,7-dimethoxy-1-methylindol-6-yl)ethanamine
CID 96590371
7-methoxy-1-methylindol-6-ol
CID 102254676
5,6,7-trimethoxy-1,2-dimethylindole
CID 141308124
7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole
CID 71554723
ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride
CID 10802949
3,4,5-trimethoxy-N-methyl-N-(1-methylindol-5-yl)sulfanylaniline
CID 177336878
2,3,4-trimethoxy-N-(1-methylindol-6-yl)benzenesulfonamide
CID 91222582
1,2,3,8-tetramethoxynaphthalene
CID 91328449
2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
CID 96609929
6-methoxy-1-methylindole-7-sulfonamide
CID 170993279
1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
CID 90671569

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1-methylindole?
The IUPAC name of 5,6,7-trimethoxy-1-methylindole (CID 141308126) is 5,6,7-trimethoxy-1-methylindole.
What is the SMILES notation for 5,6,7-trimethoxy-1-methylindole?
The canonical SMILES for 5,6,7-trimethoxy-1-methylindole is COc1cc2ccn(C)c2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-1-methylindole?
The InChIKey is VMPBSPOMPGPPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-6-5-8-7-9(14-2)11(15-3)12(16-4)10(8)13/h5-7H,1-4H3.
What are the key properties of 5,6,7-trimethoxy-1-methylindole?
5,6,7-trimethoxy-1-methylindole has a molecular weight of 221.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1-methylindole is sourced from PubChem (CID 141308126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).