1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione

C20H18N2O3 — CID 113208523

IUPAC1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)N3c4ccccc4CC3C)c2c1
InChIInChI=1S/C20H18N2O3/c1-12-9-13-5-3-4-6-18(13)22(12)20(24)19(23)16-11-21-17-8-7-14(25-2)10-15(16)17/h3-8,10-12,21H,9H2,1-2H3
InChIKeyJXUCVFBJLKGPEA-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.34
Rot. Bonds3

About 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione

1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione (PubChem CID 113208523) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
PubChem CID113208523
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)N3c4ccccc4CC3C)c2c1
InChIInChI=1S/C20H18N2O3/c1-12-9-13-5-3-4-6-18(13)22(12)20(24)19(23)16-11-21-17-8-7-14(25-2)10-15(16)17/h3-8,10-12,21H,9H2,1-2H3
InChIKeyJXUCVFBJLKGPEA-UHFFFAOYSA-N
XLogP3.34
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-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

1-(1H-indol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7117347
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113210272
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 113208442
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
2-(5-fluoro-1H-indol-3-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 113209348
1-(5-methoxy-1H-indol-3-yl)-2-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]ethanone
CID 6582366
(2R)-2-(3-methoxyphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 28635809
N-[1-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108510404
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586805
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
4-methoxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 81302118

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione (CID 113208523) is 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione is COc1ccc2[nH]cc(C(=O)C(=O)N3c4ccccc4CC3C)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione?
The InChIKey is JXUCVFBJLKGPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-9-13-5-3-4-6-18(13)22(12)20(24)19(23)16-11-21-17-8-7-14(25-2)10-15(16)17/h3-8,10-12,21H,9H2,1-2H3.
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione?
1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione has a molecular weight of 334.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione is sourced from PubChem (CID 113208523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).