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

C27H26N4O3 — CID 5327734

IUPAC3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCN3CCOCC3)c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H26N4O3/c32-26-24(20-16-28-22-8-3-1-6-18(20)22)25(27(33)29-26)21-17-31(23-9-4-2-7-19(21)23)11-5-10-30-12-14-34-15-13-30/h1-4,6-9,16-17,28H,5,10-15H2,(H,29,32,33)
InChIKeyHHYUNGCMGCSWMY-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.41
Rot. Bonds6

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

3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 5327734) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID5327734
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCN3CCOCC3)c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C27H26N4O3/c32-26-24(20-16-28-22-8-3-1-6-18(20)22)25(27(33)29-26)21-17-31(23-9-4-2-7-19(21)23)11-5-10-30-12-14-34-15-13-30/h1-4,6-9,16-17,28H,5,10-15H2,(H,29,32,33)
InChIKeyHHYUNGCMGCSWMY-UHFFFAOYSA-N
XLogP3.41
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione (CID 5327734) is 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCN3CCOCC3)c3ccccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is HHYUNGCMGCSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c32-26-24(20-16-28-22-8-3-1-6-18(20)22)25(27(33)29-26)21-17-31(23-9-4-2-7-19(21)23)11-5-10-30-12-14-34-15-13-30/h1-4,6-9,16-17,28H,5,10-15H2,(H,29,32,33).
What are the key properties of 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 454.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 5327734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).