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

C24H26N2O5 — CID 110561479

IUPAC1-(3,4-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)cc1OC
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)18-10-11-19(29-3)20(12-18)30-4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyCLPIBMQVXHXOFJ-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.10
Rot. Bonds5

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

1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110561479) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110561479
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-(3,4-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)cc1OC
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)18-10-11-19(29-3)20(12-18)30-4/h5-12,15-16H,13-14H2,1-4H3
InChIKeyCLPIBMQVXHXOFJ-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-(2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561291
1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560574
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561986
1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567380
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-chloro-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560573
1-(3-chloro-4-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557941
1-(3,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110542933
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (CID 110561479) is 1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-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)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is CLPIBMQVXHXOFJ-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)18-10-11-19(29-3)20(12-18)30-4/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
1-(3,4-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-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).