3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione

C24H21N3O4 — CID 15513688

IUPAC3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3cn(C)c4cccc(OC)c34)C(=O)NC1=O)cn2C
InChIInChI=1S/C24H21N3O4/c1-26-11-15(14-10-13(30-3)8-9-17(14)26)21-22(24(29)25-23(21)28)16-12-27(2)18-6-5-7-19(31-4)20(16)18/h5-12H,1-4H3,(H,25,28,29)
InChIKeyXCUQCCVOZUVKOE-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.25
Rot. Bonds4

About 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione

3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 15513688) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID15513688
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3cn(C)c4cccc(OC)c34)C(=O)NC1=O)cn2C
InChIInChI=1S/C24H21N3O4/c1-26-11-15(14-10-13(30-3)8-9-17(14)26)21-22(24(29)25-23(21)28)16-12-27(2)18-6-5-7-19(31-4)20(16)18/h5-12H,1-4H3,(H,25,28,29)
InChIKeyXCUQCCVOZUVKOE-UHFFFAOYSA-N
XLogP3.25
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(5-methoxy-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1-methylindole-6-carbonitrile
CID 15513678
3-(5-methoxy-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727278
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
3-(5-methoxy-1-benzofuran-7-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 69267491
3-[2-[1,2-bis(methylamino)propyl]-1H-indol-3-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
CID 67592607
3-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 19696346
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
3-(5,6-dimethoxy-1-methylindol-3-yl)-4-(5-fluoro-1-benzothiophen-3-yl)pyrrole-2,5-dione
CID 177060234
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
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione (CID 15513688) is 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione is COc1ccc2c(c1)c(C1=C(c3cn(C)c4cccc(OC)c34)C(=O)NC1=O)cn2C.
What is the InChIKey of 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is XCUQCCVOZUVKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-26-11-15(14-10-13(30-3)8-9-17(14)26)21-22(24(29)25-23(21)28)16-12-27(2)18-6-5-7-19(31-4)20(16)18/h5-12H,1-4H3,(H,25,28,29).
What are the key properties of 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione?
3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 415.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 15513688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).