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

C22H20N2O6 — CID 11575072

IUPAC3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(c4cc(OC)c(OC)c(OC)c4)C(=O)NC3=O)c2c1
InChIInChI=1S/C22H20N2O6/c1-27-12-5-6-15-13(9-12)14(10-23-15)19-18(21(25)24-22(19)26)11-7-16(28-2)20(30-4)17(8-11)29-3/h5-10,23H,1-4H3,(H,24,25,26)
InChIKeyDUTFDUUUIFMAED-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.77
Rot. Bonds6

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

3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (PubChem CID 11575072) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
PubChem CID11575072
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(c4cc(OC)c(OC)c(OC)c4)C(=O)NC3=O)c2c1
InChIInChI=1S/C22H20N2O6/c1-27-12-5-6-15-13(9-12)14(10-23-15)19-18(21(25)24-22(19)26)11-7-16(28-2)20(30-4)17(8-11)29-3/h5-10,23H,1-4H3,(H,24,25,26)
InChIKeyDUTFDUUUIFMAED-UHFFFAOYSA-N
XLogP2.77
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione (CID 11575072) is 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is COc1ccc2[nH]cc(C3=C(c4cc(OC)c(OC)c(OC)c4)C(=O)NC3=O)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
The InChIKey is DUTFDUUUIFMAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-27-12-5-6-15-13(9-12)14(10-23-15)19-18(21(25)24-22(19)26)11-7-16(28-2)20(30-4)17(8-11)29-3/h5-10,23H,1-4H3,(H,24,25,26).
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione?
3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione has a molecular weight of 408.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 11575072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).