3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione

C22H21Cl2N3O3 — CID 110568882

IUPAC3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCN(C)CC2)C1=O
InChIInChI=1S/C22H21Cl2N3O3/c1-25-9-11-26(12-10-25)20-19(15-8-7-14(23)13-16(15)24)21(28)27(22(20)29)17-5-3-4-6-18(17)30-2/h3-8,13H,9-12H2,1-2H3
InChIKeyFOHANCGFSJQMLO-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.53
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione (PubChem CID 110568882) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
PubChem CID110568882
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCN(C)CC2)C1=O
InChIInChI=1S/C22H21Cl2N3O3/c1-25-9-11-26(12-10-25)20-19(15-8-7-14(23)13-16(15)24)21(28)27(22(20)29)17-5-3-4-6-18(17)30-2/h3-8,13H,9-12H2,1-2H3
InChIKeyFOHANCGFSJQMLO-UHFFFAOYSA-N
XLogP3.53
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110568879
3-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568862
3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110568680
1-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110567085
4-[3-(2,4-dichlorophenyl)-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110568914
1-(2-fluorophenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566805
1-(3-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566706
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1,4-bis(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567460
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566840
3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110580064
3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110584016
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110568790

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione (CID 110568882) is 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione is COc1ccccc1N1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCN(C)CC2)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The InChIKey is FOHANCGFSJQMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-25-9-11-26(12-10-25)20-19(15-8-7-14(23)13-16(15)24)21(28)27(22(20)29)17-5-3-4-6-18(17)30-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione has a molecular weight of 446.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110568882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).