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

C28H33ClN4O3 — CID 132681348

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

N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide (PubChem CID 132681348) has the molecular formula C28H33ClN4O3 and a molecular weight of 509.05 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide
• PubChem CID: 132681348
• Molecular Formula: C28H33ClN4O3
• Molecular Weight: 509.05 g/mol
• Exact Mass: 508.22
• IUPAC Name: N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-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(C)C
• InChI: InChI=1S/C28H33ClN4O3/c1-16(2)33-24-11-17(3)19(12-22(24)18(4)14-28(33,5)6)13-23-26(35)32(27(36)31-23)15-25(34)30-21-9-7-20(29)8-10-21/h7-13,16,18H,14-15H2,1-6H3,(H,30,34)(H,31,36)/b23-13-
• InChIKey: MUKNCDUGMABIBH-QRVIBDJDSA-N
• XLogP: 5.68
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.05
LogP ≤ 5	5.68
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-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide (CID 132681348) is N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-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(C)C.

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

The InChIKey is MUKNCDUGMABIBH-QRVIBDJDSA-N. The full InChI is InChI=1S/C28H33ClN4O3/c1-16(2)33-24-11-17(3)19(12-22(24)18(4)14-28(33,5)6)13-23-26(35)32(27(36)31-23)15-25(34)30-21-9-7-20(29)8-10-21/h7-13,16,18H,14-15H2,1-6H3,(H,30,34)(H,31,36)/b23-13-.

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

N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide has a molecular weight of 509.05 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[(4Z)-2,5-dioxo-4-[(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 132681348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).