(4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione

C23H18N2O4 — CID 5348919

IUPAC(4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
SMILESCOc1ccc(C2/C(=C(/O)c3ccccn3)C(=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H18N2O4/c1-29-17-12-10-15(11-13-17)20-19(21(26)18-9-5-6-14-24-18)22(27)23(28)25(20)16-7-3-2-4-8-16/h2-14,20,26H,1H3/b21-19-
InChIKeyYWWJBOGBOAHRGI-VZCXRCSSSA-N
MW386.41 g/mol
LogP3.72
Rot. Bonds4

About (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione

(4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione (PubChem CID 5348919) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
PubChem CID5348919
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name(4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
SMILESCOc1ccc(C2/C(=C(/O)c3ccccn3)C(=O)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C23H18N2O4/c1-29-17-12-10-15(11-13-17)20-19(21(26)18-9-5-6-14-24-18)22(27)23(28)25(20)16-7-3-2-4-8-16/h2-14,20,26H,1H3/b21-19-
InChIKeyYWWJBOGBOAHRGI-VZCXRCSSSA-N
XLogP3.72
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E,5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 5441845
(5S)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 7420614
5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 4262543
(4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108612218
(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-1-phenyl-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108633205
(4E,5S)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 98327440
4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 2878203
4-[(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzaldehyde
CID 59447774
(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108582236
(4Z)-5-(3-chloro-4-hydroxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108596832
(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-1-phenyl-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108626161
(4Z)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-1,5-diphenylpyrrolidine-2,3-dione
CID 108638867

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione (CID 5348919) is (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione is COc1ccc(C2/C(=C(/O)c3ccccn3)C(=O)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione?
The InChIKey is YWWJBOGBOAHRGI-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-17-12-10-15(11-13-17)20-19(21(26)18-9-5-6-14-24-18)22(27)23(28)25(20)16-7-3-2-4-8-16/h2-14,20,26H,1H3/b21-19-.
What are the key properties of (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione?
(4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione has a molecular weight of 386.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy(pyridin-2-yl)methylidene]-5-(4-methoxyphenyl)-1-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 5348919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).