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

C24H22N4O2 — CID 5330713

IUPAC3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H22N4O2/c1-25-11-6-12-28-14-18(16-8-3-5-10-20(16)28)22-21(23(29)27-24(22)30)17-13-26-19-9-4-2-7-15(17)19/h2-5,7-10,13-14,25-26H,6,11-12H2,1H3,(H,27,29,30)
InChIKeyJSCLBFBGVZPWKQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.30
Rot. Bonds6

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

3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione (PubChem CID 5330713) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
PubChem CID5330713
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C24H22N4O2/c1-25-11-6-12-28-14-18(16-8-3-5-10-20(16)28)22-21(23(29)27-24(22)30)17-13-26-19-9-4-2-7-15(17)19/h2-5,7-10,13-14,25-26H,6,11-12H2,1H3,(H,27,29,30)
InChIKeyJSCLBFBGVZPWKQ-UHFFFAOYSA-N
XLogP3.30
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione (CID 5330713) is 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione is CNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
The InChIKey is JSCLBFBGVZPWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-25-11-6-12-28-14-18(16-8-3-5-10-20(16)28)22-21(23(29)27-24(22)30)17-13-26-19-9-4-2-7-15(17)19/h2-5,7-10,13-14,25-26H,6,11-12H2,1H3,(H,27,29,30).
What are the key properties of 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione has a molecular weight of 398.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 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-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 5330713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).