3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

C22H22ClN3O3 — CID 110569396

IUPAC3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccn3)C2=O)CC(C)O1
InChIInChI=1S/C22H22ClN3O3/c1-14-11-25(12-15(2)29-14)20-19(16-6-8-17(23)9-7-16)21(27)26(22(20)28)13-18-5-3-4-10-24-18/h3-10,14-15H,11-13H2,1-2H3
InChIKeyIGUIMUBQZKGCRT-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.12
Rot. Bonds4

About 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110569396) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110569396
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccn3)C2=O)CC(C)O1
InChIInChI=1S/C22H22ClN3O3/c1-14-11-25(12-15(2)29-14)20-19(16-6-8-17(23)9-7-16)21(27)26(22(20)28)13-18-5-3-4-10-24-18/h3-10,14-15H,11-13H2,1-2H3
InChIKeyIGUIMUBQZKGCRT-UHFFFAOYSA-N
XLogP3.12
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.12
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-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110567991
N-[4-[4-(2,6-dimethylmorpholin-4-yl)-2,5-dioxo-1-(pyridin-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562441
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569260
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110572162
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110558966
3-morpholin-4-yl-4-phenyl-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110559143
3-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110556060
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110546954
3-(3-methylpiperidin-1-yl)-4-(4-propoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110576489
3-(4-fluorophenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110543515
3-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110543503

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione (CID 110569396) is 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is CC1CN(C2=C(c3ccc(Cl)cc3)C(=O)N(Cc3ccccn3)C2=O)CC(C)O1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is IGUIMUBQZKGCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-14-11-25(12-15(2)29-14)20-19(16-6-8-17(23)9-7-16)21(27)26(22(20)28)13-18-5-3-4-10-24-18/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 411.89 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110569396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).