3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione

C22H17N3O4 — CID 5330715

IUPAC3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(C3=C(c4c[nH]c5cc(OC)ccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C22H17N3O4/c1-28-11-3-5-13-15(9-23-17(13)7-11)19-20(22(27)25-21(19)26)16-10-24-18-8-12(29-2)4-6-14(16)18/h3-10,23-24H,1-2H3,(H,25,26,27)
InChIKeyIUBVDRHAWOAKOU-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.23
Rot. Bonds4

About 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione

3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 5330715) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID5330715
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(C3=C(c4c[nH]c5cc(OC)ccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C22H17N3O4/c1-28-11-3-5-13-15(9-23-17(13)7-11)19-20(22(27)25-21(19)26)16-10-24-18-8-12(29-2)4-6-14(16)18/h3-10,23-24H,1-2H3,(H,25,26,27)
InChIKeyIUBVDRHAWOAKOU-UHFFFAOYSA-N
XLogP3.23
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione (CID 5330715) is 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione is COc1ccc2c(C3=C(c4c[nH]c5cc(OC)ccc45)C(=O)NC3=O)c[nH]c2c1.
What is the InChIKey of 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is IUBVDRHAWOAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-28-11-3-5-13-15(9-23-17(13)7-11)19-20(22(27)25-21(19)26)16-10-24-18-8-12(29-2)4-6-14(16)18/h3-10,23-24H,1-2H3,(H,25,26,27).
What are the key properties of 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 387.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(6-methoxy-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5330715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).