N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine

C22H26ClFN2 — CID 50861420

About N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50861420) has the molecular formula C22H26ClFN2 and a molecular weight of 372.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
• PubChem CID: 50861420
• Molecular Formula: C22H26ClFN2
• Molecular Weight: 372.92 g/mol
• Exact Mass: 372.18
• IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
• SMILES: CCN1c2cc(F)c(/C=N/c3ccc(C)c(Cl)c3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C22H26ClFN2/c1-6-26-21-11-20(24)16(9-18(21)15(3)12-22(26,4)5)13-25-17-8-7-14(2)19(23)10-17/h7-11,13,15H,6,12H2,1-5H3/b25-13+
• InChIKey: KPLBFCQWHUWVJX-DHRITJCHSA-N
• XLogP: 6.65
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.92
LogP ≤ 5	6.65
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 N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?

The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50861420) is N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.

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

The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine is CCN1c2cc(F)c(/C=N/c3ccc(C)c(Cl)c3)cc2C(C)CC1(C)C.

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

The InChIKey is KPLBFCQWHUWVJX-DHRITJCHSA-N. The full InChI is InChI=1S/C22H26ClFN2/c1-6-26-21-11-20(24)16(9-18(21)15(3)12-22(26,4)5)13-25-17-8-7-14(2)19(23)10-17/h7-11,13,15H,6,12H2,1-5H3/b25-13+.

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

N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 372.92 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50861420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).