1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

C24H23N3O3 — CID 110558522

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H23N3O3/c28-23-21(17-6-2-1-3-7-17)22(26-12-14-30-15-13-26)24(29)27(23)11-10-18-16-25-20-9-5-4-8-19(18)20/h1-9,16,25H,10-15H2
InChIKeyMIDPSLRSBMRSSU-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione

1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (PubChem CID 110558522) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
PubChem CID110558522
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H23N3O3/c28-23-21(17-6-2-1-3-7-17)22(26-12-14-30-15-13-26)24(29)27(23)11-10-18-16-25-20-9-5-4-8-19(18)20/h1-9,16,25H,10-15H2
InChIKeyMIDPSLRSBMRSSU-UHFFFAOYSA-N
XLogP2.82
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-4-morpholin-4-ylpyrrole-2,5-dione
CID 110577918
3-(4-ethylpiperazin-1-yl)-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571672
1-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110555707
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrole-2,5-dione
CID 110543020
1-ethyl-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559416
1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559521
3-(4-chlorophenyl)sulfanyl-1-[2-(1H-indol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558539
4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol
CID 155776079
3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110559143
1-[2-(1H-indol-3-yl)ethyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571676
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-2,5-dione
CID 110560193
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione (CID 110558522) is 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
The InChIKey is MIDPSLRSBMRSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23-21(17-6-2-1-3-7-17)22(26-12-14-30-15-13-26)24(29)27(23)11-10-18-16-25-20-9-5-4-8-19(18)20/h1-9,16,25H,10-15H2.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione?
1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione has a molecular weight of 401.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110558522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).