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

C22H26ClFN2 — CID 50863464

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

1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine (PubChem CID 50863464) has the molecular formula C22H26ClFN2 and a molecular weight of 372.92 g/mol. Its IUPAC name is 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine.

Molecular Properties

• Compound Name: 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine
• PubChem CID: 50863464
• Molecular Formula: C22H26ClFN2
• Molecular Weight: 372.92 g/mol
• Exact Mass: 372.18
• IUPAC Name: 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine
• SMILES: CCCN1c2cc(Cl)c(/C=N/c3ccccc3F)cc2C(C)CC1(C)C
• InChI: InChI=1S/C22H26ClFN2/c1-5-10-26-21-12-18(23)16(11-17(21)15(2)13-22(26,3)4)14-25-20-9-7-6-8-19(20)24/h6-9,11-12,14-15H,5,10,13H2,1-4H3/b25-14+
• InChIKey: UDLZKFPAMHEXRR-AFUMVMLFSA-N
• XLogP: 6.73
• 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	372.92
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine (CID 50863464) is 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine.

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

The canonical SMILES for 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine is CCCN1c2cc(Cl)c(/C=N/c3ccccc3F)cc2C(C)CC1(C)C.

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

The InChIKey is UDLZKFPAMHEXRR-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H26ClFN2/c1-5-10-26-21-12-18(23)16(11-17(21)15(2)13-22(26,3)4)14-25-20-9-7-6-8-19(20)24/h6-9,11-12,14-15H,5,10,13H2,1-4H3/b25-14+.

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

1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine has a molecular weight of 372.92 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-(2-fluorophenyl)methanimine is sourced from PubChem (CID 50863464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).