3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C24H21N3O3 — CID 57195272

IUPAC3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCOCCc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C24H21N3O3/c1-27-13-18(16-5-3-4-6-20(16)27)22-21(23(28)26-24(22)29)17-12-25-19-11-14(9-10-30-2)7-8-15(17)19/h3-8,11-13,25H,9-10H2,1-2H3,(H,26,28,29)
InChIKeyQQLRSGKZMAGVQV-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.42
Rot. Bonds5

About 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 57195272) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID57195272
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCOCCc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C24H21N3O3/c1-27-13-18(16-5-3-4-6-20(16)27)22-21(23(28)26-24(22)29)17-12-25-19-11-14(9-10-30-2)7-8-15(17)19/h3-8,11-13,25H,9-10H2,1-2H3,(H,26,28,29)
InChIKeyQQLRSGKZMAGVQV-UHFFFAOYSA-N
XLogP3.42
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 70340325
3-(1-ethylindol-3-yl)-4-(6-prop-2-enyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 137393254
3-(1H-indol-3-yl)-4-(1-methylindol-3-yl)furan-2,5-dione
CID 14855714
4-(6-bromo-1H-indol-3-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione
CID 161091738
3-[3-(6-methoxy-1H-indol-3-yl)-4-(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]propanenitrile
CID 23221069
methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium
CID 142057078
3-[1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 22123301
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327659
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-(1H-indol-3-yl)-1-methyl-4-[1-(2-phenylethyl)indol-3-yl]pyrrole-2,5-dione
CID 148910370
3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410004
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 57195272) is 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is COCCc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c[nH]c2c1.
What is the InChIKey of 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is QQLRSGKZMAGVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-27-13-18(16-5-3-4-6-20(16)27)22-21(23(28)26-24(22)29)17-12-25-19-11-14(9-10-30-2)7-8-15(17)19/h3-8,11-13,25H,9-10H2,1-2H3,(H,26,28,29).
What are the key properties of 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 399.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 57195272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).