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

C22H26BrClN2 — CID 50860825

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

N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50860825) has the molecular formula C22H26BrClN2 and a molecular weight of 433.82 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

• Compound Name: N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
• PubChem CID: 50860825
• Molecular Formula: C22H26BrClN2
• Molecular Weight: 433.82 g/mol
• Exact Mass: 432.10
• IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
• SMILES: CCN1c2cc(Cl)c(/C=N/c3ccc(Br)c(C)c3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C22H26BrClN2/c1-6-26-21-11-20(24)16(10-18(21)15(3)12-22(26,4)5)13-25-17-7-8-19(23)14(2)9-17/h7-11,13,15H,6,12H2,1-5H3/b25-13+
• InChIKey: NDLSZCLKRWPLSU-DHRITJCHSA-N
• XLogP: 7.27
• 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	433.82
LogP ≤ 5	7.27
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-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?

The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50860825) is N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.

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

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

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

The InChIKey is NDLSZCLKRWPLSU-DHRITJCHSA-N. The full InChI is InChI=1S/C22H26BrClN2/c1-6-26-21-11-20(24)16(10-18(21)15(3)12-22(26,4)5)13-25-17-7-8-19(23)14(2)9-17/h7-11,13,15H,6,12H2,1-5H3/b25-13+.

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

N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 433.82 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50860825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).