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

C28H28N4O2 — CID 167077521

IUPAC3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione
SMILESCN1CCCC1CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H28N4O2/c1-31-14-6-8-18(31)9-7-15-32-17-22(20-11-3-5-13-24(20)32)26-25(27(33)30-28(26)34)21-16-29-23-12-4-2-10-19(21)23/h2-5,10-13,16-18,29H,6-9,14-15H2,1H3,(H,30,33,34)
InChIKeyQSQBCMWYKOOVLD-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.56
Rot. Bonds6

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

3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione (PubChem CID 167077521) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione
PubChem CID167077521
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione
SMILESCN1CCCC1CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H28N4O2/c1-31-14-6-8-18(31)9-7-15-32-17-22(20-11-3-5-13-24(20)32)26-25(27(33)30-28(26)34)21-16-29-23-12-4-2-10-19(21)23/h2-5,10-13,16-18,29H,6-9,14-15H2,1H3,(H,30,33,34)
InChIKeyQSQBCMWYKOOVLD-UHFFFAOYSA-N
XLogP4.56
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.56
H-Bond Donors ≤ 52
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-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione (CID 167077521) is 3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione is CN1CCCC1CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione?
The InChIKey is QSQBCMWYKOOVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-31-14-6-8-18(31)9-7-15-32-17-22(20-11-3-5-13-24(20)32)26-25(27(33)30-28(26)34)21-16-29-23-12-4-2-10-19(21)23/h2-5,10-13,16-18,29H,6-9,14-15H2,1H3,(H,30,33,34).
What are the key properties of 3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione has a molecular weight of 452.56 g/mol, XLogP of 4.56, 6 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-[1-[3-(1-methylpyrrolidin-2-yl)propyl]indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 167077521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).