1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine

C22H26FIN2 — CID 50863451

About 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine

1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine (PubChem CID 50863451) has the molecular formula C22H26FIN2 and a molecular weight of 464.37 g/mol. Its IUPAC name is 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine.

Molecular Properties

• Compound Name: 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
• PubChem CID: 50863451
• Molecular Formula: C22H26FIN2
• Molecular Weight: 464.37 g/mol
• Exact Mass: 464.11
• IUPAC Name: 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine
• SMILES: CCCN1c2cc(F)c(/C=N/c3cccc(I)c3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C22H26FIN2/c1-5-9-26-21-12-20(23)16(10-19(21)15(2)13-22(26,3)4)14-25-18-8-6-7-17(24)11-18/h6-8,10-12,14-15H,5,9,13H2,1-4H3/b25-14+
• InChIKey: ZJQOWGIMNQSORI-AFUMVMLFSA-N
• XLogP: 6.68
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.37
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine?

The IUPAC name of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine (CID 50863451) is 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine.

What is the SMILES notation for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine?

The canonical SMILES for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine is CCCN1c2cc(F)c(/C=N/c3cccc(I)c3)cc2C(C)CC1(C)C.

What is the InChIKey of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine?

The InChIKey is ZJQOWGIMNQSORI-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H26FIN2/c1-5-9-26-21-12-20(23)16(10-19(21)15(2)13-22(26,3)4)14-25-18-8-6-7-17(24)11-18/h6-8,10-12,14-15H,5,9,13H2,1-4H3/b25-14+.

What are the key properties of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine?

1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine has a molecular weight of 464.37 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(3-iodophenyl)methanimine is sourced from PubChem (CID 50863451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).