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

C28H32N4O3 — CID 50868328

IUPAC2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C28H32N4O3/c1-6-13-32-24-12-11-20(14-21(24)19(3)16-28(32,4)5)15-23-26(34)31(27(35)30-23)17-25(33)29-22-10-8-7-9-18(22)2/h7-12,14-16H,6,13,17H2,1-5H3,(H,29,33)(H,30,35)/b23-15+
InChIKeyNZBVGPAQMNMOTR-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-(2-methylphenyl)acetamide

2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 50868328) 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-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID50868328
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-(2-methylphenyl)acetamide
SMILESCCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C28H32N4O3/c1-6-13-32-24-12-11-20(14-21(24)19(3)16-28(32,4)5)15-23-26(34)31(27(35)30-23)17-25(33)29-22-10-8-7-9-18(22)2/h7-12,14-16H,6,13,17H2,1-5H3,(H,29,33)(H,30,35)/b23-15+
InChIKeyNZBVGPAQMNMOTR-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-(3-methylphenyl)acetamide
CID 50868327
2-[(4E)-4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 50866297
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-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50866260
2-[(4E)-2,5-dioxo-4-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 50864262
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 16632629
N-(2-methylphenyl)-2-[(4E)-4-[(1-methylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50853662
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
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)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50862743
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-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 3331969

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-(2-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-(2-methylphenyl)acetamide (CID 50868328) is 2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-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-(2-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-(2-methylphenyl)acetamide is CCCN1c2ccc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4C)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-(2-methylphenyl)acetamide?
The InChIKey is NZBVGPAQMNMOTR-HZHRSRAPSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-6-13-32-24-12-11-20(14-21(24)19(3)16-28(32,4)5)15-23-26(34)31(27(35)30-23)17-25(33)29-22-10-8-7-9-18(22)2/h7-12,14-16H,6,13,17H2,1-5H3,(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-(2-methylphenyl)acetamide?
2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(2-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-(2-methylphenyl)acetamide is sourced from PubChem (CID 50868328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).