3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione

C21H14N2O4 — CID 163360683

IUPAC3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2occ(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C21H14N2O4/c1-26-11-6-7-17-13(8-11)15(10-27-17)19-18(20(24)23-21(19)25)14-9-22-16-5-3-2-4-12(14)16/h2-10,22H,1H3,(H,23,24,25)
InChIKeyLEBNQDWSLNYONX-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.49
Rot. Bonds3

About 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione

3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione (PubChem CID 163360683) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
PubChem CID163360683
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2occ(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C21H14N2O4/c1-26-11-6-7-17-13(8-11)15(10-27-17)19-18(20(24)23-21(19)25)14-9-22-16-5-3-2-4-12(14)16/h2-10,22H,1H3,(H,23,24,25)
InChIKeyLEBNQDWSLNYONX-UHFFFAOYSA-N
XLogP3.49
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.49
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-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 165437352
3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione;5,6-bis(4-methoxyanilino)isoindole-1,3-dione
CID 161218746
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308775
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410145
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
3-(1H-indol-3-yl)-4-(6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)pyrrole-2,5-dione
CID 22556672
3-(1-butyl-5-methoxyindol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;ethanimidamide
CID 145482206
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-(1,4-benzodioxin-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 134998083

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione (CID 163360683) is 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione is COc1ccc2occ(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1.
What is the InChIKey of 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione?
The InChIKey is LEBNQDWSLNYONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c1-26-11-6-7-17-13(8-11)15(10-27-17)19-18(20(24)23-21(19)25)14-9-22-16-5-3-2-4-12(14)16/h2-10,22H,1H3,(H,23,24,25).
What are the key properties of 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione has a molecular weight of 358.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 163360683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).