2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

C24H30ClN3O2 — CID 50862123

About 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide (PubChem CID 50862123) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
• PubChem CID: 50862123
• Molecular Formula: C24H30ClN3O2
• Molecular Weight: 427.98 g/mol
• Exact Mass: 427.20
• IUPAC Name: 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
• SMILES: CCCN1c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C24H30ClN3O2/c1-5-12-28-22-11-6-18(13-21(22)17(2)14-24(28,3)4)15-26-27-23(29)16-30-20-9-7-19(25)8-10-20/h6-11,13,15,17H,5,12,14,16H2,1-4H3,(H,27,29)/b26-15-
• InChIKey: JMXVMDRXMLTDIY-YSMPRRRNSA-N
• XLogP: 5.37
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.98
LogP ≤ 5	5.37
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-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide?

The IUPAC name of 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide (CID 50862123) is 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide is CCCN1c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3)cc2C(C)CC1(C)C.

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

The InChIKey is JMXVMDRXMLTDIY-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-5-12-28-22-11-6-18(13-21(22)17(2)14-24(28,3)4)15-26-27-23(29)16-30-20-9-7-19(25)8-10-20/h6-11,13,15,17H,5,12,14,16H2,1-4H3,(H,27,29)/b26-15-.

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

2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 427.98 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[(Z)-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 50862123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).