3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione

C34H32N4O4 — CID 22410665

About 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione

3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione (PubChem CID 22410665) has the molecular formula C34H32N4O4 and a molecular weight of 560.65 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione
• PubChem CID: 22410665
• Molecular Formula: C34H32N4O4
• Molecular Weight: 560.65 g/mol
• Exact Mass: 560.24
• IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione
• SMILES: O=C1NC(=O)C(c2cn(CCCN3CCOCC3)c3cccc(OCc4ccccc4)c23)=C1c1c[nH]c2ccccc12
• InChI: InChI=1S/C34H32N4O4/c39-33-31(25-20-35-27-11-5-4-10-24(25)27)32(34(40)36-33)26-21-38(15-7-14-37-16-18-41-19-17-37)28-12-6-13-29(30(26)28)42-22-23-8-2-1-3-9-23/h1-6,8-13,20-21,35H,7,14-19,22H2,(H,36,39,40)
• InChIKey: JMJGPITWDLNIRK-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 88.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.65
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione?

The IUPAC name of 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione (CID 22410665) is 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione.

What is the SMILES notation for 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione?

The canonical SMILES for 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCN3CCOCC3)c3cccc(OCc4ccccc4)c23)=C1c1c[nH]c2ccccc12.

What is the InChIKey of 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione?

The InChIKey is JMJGPITWDLNIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O4/c39-33-31(25-20-35-27-11-5-4-10-24(25)27)32(34(40)36-33)26-21-38(15-7-14-37-16-18-41-19-17-37)28-12-6-13-29(30(26)28)42-22-23-8-2-1-3-9-23/h1-6,8-13,20-21,35H,7,14-19,22H2,(H,36,39,40).

What are the key properties of 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione?

3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione has a molecular weight of 560.65 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-4-phenylmethoxyindol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22410665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).