3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione

C20H25Cl2N3O3 — CID 110568370

IUPAC3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(CCCOC)C2=O)CC1
InChIInChI=1S/C20H25Cl2N3O3/c1-3-23-8-10-24(11-9-23)18-17(15-6-5-14(21)13-16(15)22)19(26)25(20(18)27)7-4-12-28-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyNVHHHLSXFSTVRI-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.75
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione (PubChem CID 110568370) has the molecular formula C20H25Cl2N3O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione
PubChem CID110568370
Molecular FormulaC20H25Cl2N3O3
Molecular Weight426.34 g/mol
Exact Mass425.13
IUPAC Name3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(CCCOC)C2=O)CC1
InChIInChI=1S/C20H25Cl2N3O3/c1-3-23-8-10-24(11-9-23)18-17(15-6-5-14(21)13-16(15)22)19(26)25(20(18)27)7-4-12-28-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyNVHHHLSXFSTVRI-UHFFFAOYSA-N
XLogP2.75
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110568398
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143
1-benzyl-3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568058
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110568790
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110569881
3-(4-ethylpiperazin-1-yl)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559523
1-[2-(4-chlorophenyl)ethyl]-3-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578002
3-(2,4-dichlorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
CID 110568508
3-(4-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110546696
3-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110568553
3-(2,4-dichlorophenyl)-4-(3-methoxyanilino)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110598868

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione (CID 110568370) is 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione is CCN1CCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(CCCOC)C2=O)CC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione?
The InChIKey is NVHHHLSXFSTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O3/c1-3-23-8-10-24(11-9-23)18-17(15-6-5-14(21)13-16(15)22)19(26)25(20(18)27)7-4-12-28-2/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione has a molecular weight of 426.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methoxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110568370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).