2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide

C26H34N4O — CID 50866774

About 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide

2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide (PubChem CID 50866774) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide
• PubChem CID: 50866774
• Molecular Formula: C26H34N4O
• Molecular Weight: 418.59 g/mol
• Exact Mass: 418.27
• IUPAC Name: 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide
• SMILES: CCN1c2cc(C)c(/C=N\NC(=O)CNc3ccc(C)c(C)c3)cc2C(C)=CC1(C)C
• InChI: InChI=1S/C26H34N4O/c1-8-30-24-12-19(4)21(13-23(24)20(5)14-26(30,6)7)15-28-29-25(31)16-27-22-10-9-17(2)18(3)11-22/h9-15,27H,8,16H2,1-7H3,(H,29,31)/b28-15-
• InChIKey: MEIIILZSYWDAEH-MBTHVWNTSA-N
• XLogP: 5.20
• TPSA: 56.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.59
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide?

The IUPAC name of 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide (CID 50866774) is 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide.

What is the SMILES notation for 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide?

The canonical SMILES for 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide is CCN1c2cc(C)c(/C=N\NC(=O)CNc3ccc(C)c(C)c3)cc2C(C)=CC1(C)C.

What is the InChIKey of 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide?

The InChIKey is MEIIILZSYWDAEH-MBTHVWNTSA-N. The full InChI is InChI=1S/C26H34N4O/c1-8-30-24-12-19(4)21(13-23(24)20(5)14-26(30,6)7)15-28-29-25(31)16-27-22-10-9-17(2)18(3)11-22/h9-15,27H,8,16H2,1-7H3,(H,29,31)/b28-15-.

What are the key properties of 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide?

2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 418.59 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylanilino)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 50866774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).