1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

C24H26N2O5 — CID 110561291

IUPAC1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)=C(N3CC(C)OC(C)C3)C2=O)c(OC)c1
InChIInChI=1S/C24H26N2O5/c1-15-13-25(14-16(2)31-15)22-21(17-8-6-5-7-9-17)23(27)26(24(22)28)19-11-10-18(29-3)12-20(19)30-4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyWQDJNFFARWZNMR-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.10
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110561291) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110561291
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3)=C(N3CC(C)OC(C)C3)C2=O)c(OC)c1
InChIInChI=1S/C24H26N2O5/c1-15-13-25(14-16(2)31-15)22-21(17-8-6-5-7-9-17)23(27)26(24(22)28)19-11-10-18(29-3)12-20(19)30-4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyWQDJNFFARWZNMR-UHFFFAOYSA-N
XLogP3.10
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557364
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479
1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574086
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110547916
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581247
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
3-(2,6-dimethylmorpholin-4-yl)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561409
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579604
1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110542933
1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560513
1-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545624

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (CID 110561291) is 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is COc1ccc(N2C(=O)C(c3ccccc3)=C(N3CC(C)OC(C)C3)C2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is WQDJNFFARWZNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-15-13-25(14-16(2)31-15)22-21(17-8-6-5-7-9-17)23(27)26(24(22)28)19-11-10-18(29-3)12-20(19)30-4/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 422.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).