2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

C24H29Cl2N3O — CID 50862635

About 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50862635) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
• PubChem CID: 50862635
• Molecular Formula: C24H29Cl2N3O
• Molecular Weight: 446.42 g/mol
• Exact Mass: 445.17
• IUPAC Name: 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
• SMILES: CCCN1c2cc(C)c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cc2C(C)CC1(C)C
• InChI: InChI=1S/C24H29Cl2N3O/c1-6-9-29-22-10-15(2)17(11-20(22)16(3)13-24(29,4)5)14-27-28-23(30)19-8-7-18(25)12-21(19)26/h7-8,10-12,14,16H,6,9,13H2,1-5H3,(H,28,30)/b27-14-
• InChIKey: GVKQFGRUPUZUOU-VYYCAZPPSA-N
• XLogP: 6.57
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.42
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide?

The IUPAC name of 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide (CID 50862635) is 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide.

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

The canonical SMILES for 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide is CCCN1c2cc(C)c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cc2C(C)CC1(C)C.

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

The InChIKey is GVKQFGRUPUZUOU-VYYCAZPPSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c1-6-9-29-22-10-15(2)17(11-20(22)16(3)13-24(29,4)5)14-27-28-23(30)19-8-7-18(25)12-21(19)26/h7-8,10-12,14,16H,6,9,13H2,1-5H3,(H,28,30)/b27-14-.

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

2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 446.42 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[(Z)-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50862635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).