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

C23H18N2O5 — CID 108582236

IUPAC(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccncc3)C2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H18N2O5/c1-30-18-8-4-16(5-9-18)25-20(14-2-6-17(26)7-3-14)19(22(28)23(25)29)21(27)15-10-12-24-13-11-15/h2-13,20,26-27H,1H3/b21-19-
InChIKeyAMYNJLLNHIKVIX-VZCXRCSSSA-N
MW402.41 g/mol
LogP3.42
Rot. Bonds4

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

(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108582236) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
PubChem CID108582236
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccncc3)C2c2ccc(O)cc2)cc1
InChIInChI=1S/C23H18N2O5/c1-30-18-8-4-16(5-9-18)25-20(14-2-6-17(26)7-3-14)19(22(28)23(25)29)21(27)15-10-12-24-13-11-15/h2-13,20,26-27H,1H3/b21-19-
InChIKeyAMYNJLLNHIKVIX-VZCXRCSSSA-N
XLogP3.42
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(5S)-1-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 7420614
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(4-methylphenyl)pyrrolidine-2,3-dione
CID 108616825
N-[4-[(3Z)-3-[hydroxy(pyridin-4-yl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 108665850
(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(4-hydroxyphenyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108582234
(4E,5R)-5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 98327994
(4E,5S)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 98377511
(4E)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-hydroxyphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632811
(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108582226
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-(4-methoxyphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632894
(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108582213
(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 108702857
(5S)-4-[hydroxy-(4-nitrophenyl)methylidene]-1,5-bis(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 41015734

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione (CID 108582236) is (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione is COc1ccc(N2C(=O)C(=O)/C(=C(\O)c3ccncc3)C2c2ccc(O)cc2)cc1.
What is the InChIKey of (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is AMYNJLLNHIKVIX-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H18N2O5/c1-30-18-8-4-16(5-9-18)25-20(14-2-6-17(26)7-3-14)19(22(28)23(25)29)21(27)15-10-12-24-13-11-15/h2-13,20,26-27H,1H3/b21-19-.
What are the key properties of (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
(4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 402.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108582236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).