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

C26H26N4O3 — CID 22410004

IUPAC3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N4O3/c1-29(2)13-16(33-3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32)
InChIKeyAXKCFAHPGCFWGY-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.27
Rot. Bonds7

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

3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410004) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410004
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N4O3/c1-29(2)13-16(33-3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32)
InChIKeyAXKCFAHPGCFWGY-UHFFFAOYSA-N
XLogP3.27
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.27
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-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410004) is 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is COC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is AXKCFAHPGCFWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-29(2)13-16(33-3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32).
What are the key properties of 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 442.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).