N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide

C26H29ClN4O3 — CID 50858668

About N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide

N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide (PubChem CID 50858668) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide
• PubChem CID: 50858668
• Molecular Formula: C26H29ClN4O3
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.19
• IUPAC Name: N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide
• SMILES: Cc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)C(C)CC(C)(C)N2C
• InChI: InChI=1S/C26H29ClN4O3/c1-15-10-22-20(16(2)13-26(3,4)30(22)5)11-17(15)12-21-24(33)31(25(34)29-21)14-23(32)28-19-8-6-18(27)7-9-19/h6-12,16H,13-14H2,1-5H3,(H,28,32)(H,29,34)/b21-12+
• InChIKey: IUCYXCTYFXRJGD-CIAFOILYSA-N
• XLogP: 4.90
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide (CID 50858668) is N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide is Cc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)C(C)CC(C)(C)N2C.

What is the InChIKey of N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide?

The InChIKey is IUCYXCTYFXRJGD-CIAFOILYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-15-10-22-20(16(2)13-26(3,4)30(22)5)11-17(15)12-21-24(33)31(25(34)29-21)14-23(32)28-19-8-6-18(27)7-9-19/h6-12,16H,13-14H2,1-5H3,(H,28,32)(H,29,34)/b21-12+.

What are the key properties of N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide?

N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide has a molecular weight of 481.00 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 50858668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).