2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C28H32N4O3 — CID 50868327

IUPAC2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C28H32N4O3/c1-6-12-32-24-11-10-20(14-22(24)19(3)16-28(32,4)5)15-23-26(34)31(27(35)30-23)17-25(33)29-21-9-7-8-18(2)13-21/h7-11,13-16H,6,12,17H2,1-5H3,(H,29,33)(H,30,35)/b23-15+
InChIKeyARMOGZMFWILBSC-HZHRSRAPSA-N
MW472.59 g/mol
LogP4.94
Rot. Bonds6

About 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 50868327) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID50868327
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C28H32N4O3/c1-6-12-32-24-11-10-20(14-22(24)19(3)16-28(32,4)5)15-23-26(34)31(27(35)30-23)17-25(33)29-21-9-7-8-18(2)13-21/h7-11,13-16H,6,12,17H2,1-5H3,(H,29,33)(H,30,35)/b23-15+
InChIKeyARMOGZMFWILBSC-HZHRSRAPSA-N
XLogP4.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.94
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-(2-methylphenyl)acetamide
CID 50868328
2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 50866297
2-[(4E)-2,5-dioxo-4-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 50864262
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
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-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126112477
2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657
2-[(4Z)-4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6045074
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-[(4E)-2,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126108576
2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126103145
2-[(4Z)-4-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126154508

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 50868327) is 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide is CCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C.
What is the InChIKey of 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ARMOGZMFWILBSC-HZHRSRAPSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-6-12-32-24-11-10-20(14-22(24)19(3)16-28(32,4)5)15-23-26(34)31(27(35)30-23)17-25(33)29-21-9-7-8-18(2)13-21/h7-11,13-16H,6,12,17H2,1-5H3,(H,29,33)(H,30,35)/b23-15+.
What are the key properties of 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 50868327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).