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

C28H30N4O3 — CID 5327727

IUPAC3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOCCn1cc(C2=C(c3cn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H30N4O3/c1-30(2)13-8-14-31-17-21(19-9-4-6-11-23(19)31)25-26(28(34)29-27(25)33)22-18-32(15-16-35-3)24-12-7-5-10-20(22)24/h4-7,9-12,17-18H,8,13-16H2,1-3H3,(H,29,33,34)
InChIKeyKSILOMXBNCLOSE-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.76
Rot. Bonds9

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

3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 5327727) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID5327727
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOCCn1cc(C2=C(c3cn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C28H30N4O3/c1-30(2)13-8-14-31-17-21(19-9-4-6-11-23(19)31)25-26(28(34)29-27(25)33)22-18-32(15-16-35-3)24-12-7-5-10-20(22)24/h4-7,9-12,17-18H,8,13-16H2,1-3H3,(H,29,33,34)
InChIKeyKSILOMXBNCLOSE-UHFFFAOYSA-N
XLogP3.76
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione (CID 5327727) is 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione is COCCn1cc(C2=C(c3cn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is KSILOMXBNCLOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-30(2)13-8-14-31-17-21(19-9-4-6-11-23(19)31)25-26(28(34)29-27(25)33)22-18-32(15-16-35-3)24-12-7-5-10-20(22)24/h4-7,9-12,17-18H,8,13-16H2,1-3H3,(H,29,33,34).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 470.57 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-(2-methoxyethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 5327727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).