(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione

C28H24N2O4 — CID 108605687

IUPAC(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione
SMILESCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)C2c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C28H24N2O4/c1-3-34-20-15-13-18(14-16-20)26(31)24-25(22-17-29(2)23-12-8-7-11-21(22)23)30(28(33)27(24)32)19-9-5-4-6-10-19/h4-17,25,31H,3H2,1-2H3/b26-24+
InChIKeyZWQUNGUAUHQWMA-SHHOIMCASA-N
MW452.51 g/mol
LogP5.20
Rot. Bonds5

About (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione

(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione (PubChem CID 108605687) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione
PubChem CID108605687
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione
SMILESCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)C2c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C28H24N2O4/c1-3-34-20-15-13-18(14-16-20)26(31)24-25(22-17-29(2)23-12-8-7-11-21(22)23)30(28(33)27(24)32)19-9-5-4-6-10-19/h4-17,25,31H,3H2,1-2H3/b26-24+
InChIKeyZWQUNGUAUHQWMA-SHHOIMCASA-N
XLogP5.20
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.20
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'}

Analyze (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione
CID 108605681
(4E)-1-(3,5-dimethylphenyl)-4-[hydroxy-(4-pentoxyphenyl)methylidene]-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108683996
(4E)-1-(3-chlorophenyl)-4-[(2,4-diethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108684408
(4E)-4-[(2-chloro-5-ethoxyphenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108683870
(4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108684156
(4Z)-1-(4-ethoxyphenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108606644
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108683901
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108683894
(4E)-4-[hydroxy-(4-pentoxyphenyl)methylidene]-5-(1-methylindol-3-yl)-1-propylpyrrolidine-2,3-dione
CID 108650297
(4E)-1-(3,5-dimethylphenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)pyrrolidine-2,3-dione
CID 108683969
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-ethoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108594931
(4E)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione
CID 108605655

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione (CID 108605687) is (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione is CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccc3)C2c2cn(C)c3ccccc23)cc1.
What is the InChIKey of (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione?
The InChIKey is ZWQUNGUAUHQWMA-SHHOIMCASA-N. The full InChI is InChI=1S/C28H24N2O4/c1-3-34-20-15-13-18(14-16-20)26(31)24-25(22-17-29(2)23-12-8-7-11-21(22)23)30(28(33)27(24)32)19-9-5-4-6-10-19/h4-17,25,31H,3H2,1-2H3/b26-24+.
What are the key properties of (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione?
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione has a molecular weight of 452.51 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(1-methylindol-3-yl)-1-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 108605687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).