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

C29H32N4O4 — CID 22409408

IUPAC3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCN(CC)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c(OC)c(OC)ccc21
InChIInChI=1S/C29H32N4O4/c1-5-32(6-2)14-9-15-33-17-20(24-22(33)12-13-23(36-3)27(24)37-4)26-25(28(34)31-29(26)35)19-16-30-21-11-8-7-10-18(19)21/h7-8,10-13,16-17,30H,5-6,9,14-15H2,1-4H3,(H,31,34,35)
InChIKeyBJHGIINEBJYYIP-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.44
Rot. Bonds10

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

3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409408) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409408
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCN(CC)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c(OC)c(OC)ccc21
InChIInChI=1S/C29H32N4O4/c1-5-32(6-2)14-9-15-33-17-20(24-22(33)12-13-23(36-3)27(24)37-4)26-25(28(34)31-29(26)35)19-16-30-21-11-8-7-10-18(19)21/h7-8,10-13,16-17,30H,5-6,9,14-15H2,1-4H3,(H,31,34,35)
InChIKeyBJHGIINEBJYYIP-UHFFFAOYSA-N
XLogP4.44
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(diethylamino)ethyl]-4,5-dimethoxyindol-3-yl]-4-(4,5-dimethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409598
3-[1-[3-(diethylamino)propyl]-4-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409474
3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409400
2-[3-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-4,5-dimethoxyindol-1-yl]propyl]-1-nitroguanidine
CID 22410022
3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409410
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[1-[3-(diethylamino)propyl]-7-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409374
3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410023
3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409242
N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
CID 22410287
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409658

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409408) is 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CCN(CC)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c(OC)c(OC)ccc21.
What is the InChIKey of 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is BJHGIINEBJYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-5-32(6-2)14-9-15-33-17-20(24-22(33)12-13-23(36-3)27(24)37-4)26-25(28(34)31-29(26)35)19-16-30-21-11-8-7-10-18(19)21/h7-8,10-13,16-17,30H,5-6,9,14-15H2,1-4H3,(H,31,34,35).
What are the key properties of 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 500.60 g/mol, XLogP of 4.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).