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

C29H34N6O2 — CID 22409690

IUPAC3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione
SMILESCCNCCCn1cc(C2=C(c3c[nH]c4ccc(N(C)C)cc34)C(=O)NC2=O)c2cc(N(C)C)ccc21
InChIInChI=1S/C29H34N6O2/c1-6-30-12-7-13-35-17-23(21-15-19(34(4)5)9-11-25(21)35)27-26(28(36)32-29(27)37)22-16-31-24-10-8-18(33(2)3)14-20(22)24/h8-11,14-17,30-31H,6-7,12-13H2,1-5H3,(H,32,36,37)
InChIKeyQWOCVOKXTYMUDL-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.82
Rot. Bonds9

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

3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione (PubChem CID 22409690) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione
PubChem CID22409690
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione
SMILESCCNCCCn1cc(C2=C(c3c[nH]c4ccc(N(C)C)cc34)C(=O)NC2=O)c2cc(N(C)C)ccc21
InChIInChI=1S/C29H34N6O2/c1-6-30-12-7-13-35-17-23(21-15-19(34(4)5)9-11-25(21)35)27-26(28(36)32-29(27)37)22-16-31-24-10-8-18(33(2)3)14-20(22)24/h8-11,14-17,30-31H,6-7,12-13H2,1-5H3,(H,32,36,37)
InChIKeyQWOCVOKXTYMUDL-UHFFFAOYSA-N
XLogP3.82
TPSA85.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione (CID 22409690) is 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione is CCNCCCn1cc(C2=C(c3c[nH]c4ccc(N(C)C)cc34)C(=O)NC2=O)c2cc(N(C)C)ccc21.
What is the InChIKey of 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione?
The InChIKey is QWOCVOKXTYMUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-6-30-12-7-13-35-17-23(21-15-19(34(4)5)9-11-25(21)35)27-26(28(36)32-29(27)37)22-16-31-24-10-8-18(33(2)3)14-20(22)24/h8-11,14-17,30-31H,6-7,12-13H2,1-5H3,(H,32,36,37).
What are the key properties of 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione?
3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione has a molecular weight of 498.63 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22409690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).