2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

C26H28N4O3 — CID 50866297

IUPAC2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H28N4O3/c1-5-30-22-12-11-18(13-20(22)17(2)15-26(30,3)4)14-21-24(32)29(25(33)28-21)16-23(31)27-19-9-7-6-8-10-19/h6-15H,5,16H2,1-4H3,(H,27,31)(H,28,33)/b21-14+
InChIKeyLYMNSJZAWLAHLR-KGENOOAVSA-N
MW444.54 g/mol
LogP4.24
Rot. Bonds5

About 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 50866297) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID50866297
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H28N4O3/c1-5-30-22-12-11-18(13-20(22)17(2)15-26(30,3)4)14-21-24(32)29(25(33)28-21)16-23(31)27-19-9-7-6-8-10-19/h6-15H,5,16H2,1-4H3,(H,27,31)(H,28,33)/b21-14+
InChIKeyLYMNSJZAWLAHLR-KGENOOAVSA-N
XLogP4.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 50868327
2-[(4E)-2,5-dioxo-4-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 50864262
2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50868328
N-(4-bromophenyl)-2-[(4E)-4-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50867024
2-[(4E)-4-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50867611
2-[(5Z)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 99888115
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
2-[(4E)-4-[(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 50869585
2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657
N-(3-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 50868372
N-(4-chlorophenyl)-2-[(4E)-4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50869836
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (CID 50866297) is 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is CCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2C(C)=CC1(C)C.
What is the InChIKey of 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is LYMNSJZAWLAHLR-KGENOOAVSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-5-30-22-12-11-18(13-20(22)17(2)15-26(30,3)4)14-21-24(32)29(25(33)28-21)16-23(31)27-19-9-7-6-8-10-19/h6-15H,5,16H2,1-4H3,(H,27,31)(H,28,33)/b21-14+.
What are the key properties of 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 444.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 50866297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).