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

C22H17N3O3 — CID 5327673

IUPAC3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccc(O)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H17N3O3/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-8-7-12(26)9-14(16)18/h3-11,26H,1-2H3,(H,23,27,28)
InChIKeyCQVGLBTZZGJXTR-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.94
Rot. Bonds2

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

3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327673) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327673
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ccc(O)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H17N3O3/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-8-7-12(26)9-14(16)18/h3-11,26H,1-2H3,(H,23,27,28)
InChIKeyCQVGLBTZZGJXTR-UHFFFAOYSA-N
XLogP2.94
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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(5-Hydroxyindol-3-yl)acetate
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3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327673) is 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(C)c4ccc(O)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is CQVGLBTZZGJXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-8-7-12(26)9-14(16)18/h3-11,26H,1-2H3,(H,23,27,28).
What are the key properties of 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 371.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1-methylindol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).