3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C23H23N3O6 — CID 110542475

IUPAC3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-15(2)32-19-9-7-17(8-10-19)25-22(27)20(16-3-5-18(6-4-16)26(29)30)21(23(25)28)24-11-13-31-14-12-24/h3-10,15H,11-14H2,1-2H3
InChIKeyNEIXLTKWKYCVFD-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.00
Rot. Bonds6

About 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110542475) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110542475
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-15(2)32-19-9-7-17(8-10-19)25-22(27)20(16-3-5-18(6-4-16)26(29)30)21(23(25)28)24-11-13-31-14-12-24/h3-10,15H,11-14H2,1-2H3
InChIKeyNEIXLTKWKYCVFD-UHFFFAOYSA-N
XLogP3.00
TPSA102.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574879
1-methyl-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575237
1-(2,3-dimethylphenyl)-3-morpholin-4-yl-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542290
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542026
3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575861
3-(4-methylpiperidin-1-yl)-1-phenyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575970
3-(4-methylphenyl)-4-morpholin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110571547
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110561352
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575860
4-[3-(4-methylpiperidin-1-yl)-4-(4-nitrophenyl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110542694
3-morpholin-4-yl-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577483

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110542475) is 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CC(C)Oc1ccc(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is NEIXLTKWKYCVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-15(2)32-19-9-7-17(8-10-19)25-22(27)20(16-3-5-18(6-4-16)26(29)30)21(23(25)28)24-11-13-31-14-12-24/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 437.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110542475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).