2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione

C20H18N2O4 — CID 102299709

IUPAC2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESCOc1ccc2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c2c1OC
InChIInChI=1S/C20H18N2O4/c1-25-16-8-7-13-12(11-21-17(13)18(16)26-2)9-10-22-19(23)14-5-3-4-6-15(14)20(22)24/h3-8,11,21H,9-10H2,1-2H3
InChIKeyQMXFTWPQHVIQQR-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.02
Rot. Bonds5

About 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione

2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 102299709) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione
PubChem CID102299709
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione
SMILESCOc1ccc2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c2c1OC
InChIInChI=1S/C20H18N2O4/c1-25-16-8-7-13-12(11-21-17(13)18(16)26-2)9-10-22-19(23)14-5-3-4-6-15(14)20(22)24/h3-8,11,21H,9-10H2,1-2H3
InChIKeyQMXFTWPQHVIQQR-UHFFFAOYSA-N
XLogP3.02
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione 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-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]isoindole-1,3-dione
CID 162236502
3-(2-azidoethyl)-6,7-dimethoxy-1H-indole
CID 10562361
2-[3-(5-methoxy-1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906584
2-[(2-bromo-3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
CID 47061601
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
(4Z)-4-(dimethylaminomethylidene)-2-[2-(1H-indol-3-yl)ethyl]isoquinoline-1,3-dione
CID 6512110
2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
2-[2-(5-cyclohexyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 10499546
2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
CID 164570831
3-ethyl-7-fluoro-6-methoxy-1H-indole
CID 130049741
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
3-ethylsulfanyl-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555711

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione (CID 102299709) is 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione is COc1ccc2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c2c1OC.
What is the InChIKey of 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is QMXFTWPQHVIQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-16-8-7-13-12(11-21-17(13)18(16)26-2)9-10-22-19(23)14-5-3-4-6-15(14)20(22)24/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione?
2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 350.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dimethoxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 102299709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).