2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

C22H25Cl2N3O2 — CID 133203490

About 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide (PubChem CID 133203490) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
• PubChem CID: 133203490
• Molecular Formula: C22H25Cl2N3O2
• Molecular Weight: 434.37 g/mol
• Exact Mass: 433.13
• IUPAC Name: 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
• SMILES: CC1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc21
• InChI: InChI=1S/C22H25Cl2N3O2/c1-14-11-22(2,3)27(4)20-10-19(24)15(8-18(14)20)12-25-26-21(28)13-29-17-7-5-6-16(23)9-17/h5-10,12,14H,11,13H2,1-4H3,(H,26,28)/b25-12-
• InChIKey: GZBMHMABQRCWMZ-ROTLSHHCSA-N
• XLogP: 5.24
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.37
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
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-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

The IUPAC name of 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide (CID 133203490) is 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide.

What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

The canonical SMILES for 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide is CC1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc21.

What is the InChIKey of 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

The InChIKey is GZBMHMABQRCWMZ-ROTLSHHCSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-14-11-22(2,3)27(4)20-10-19(24)15(8-18(14)20)12-25-26-21(28)13-29-17-7-5-6-16(23)9-17/h5-10,12,14H,11,13H2,1-4H3,(H,26,28)/b25-12-.

What are the key properties of 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 434.37 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenoxy)-N-[(Z)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 133203490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).