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

C23H28Cl2N2 — CID 50863409

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

N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50863409) has the molecular formula C23H28Cl2N2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

• Compound Name: N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
• PubChem CID: 50863409
• Molecular Formula: C23H28Cl2N2
• Molecular Weight: 403.40 g/mol
• Exact Mass: 402.16
• IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
• SMILES: CCCN1c2cc(Cl)c(/C=N/c3cccc(Cl)c3C)cc2C(C)CC1(C)C
• InChI: InChI=1S/C23H28Cl2N2/c1-6-10-27-22-12-20(25)17(11-18(22)15(2)13-23(27,4)5)14-26-21-9-7-8-19(24)16(21)3/h7-9,11-12,14-15H,6,10,13H2,1-5H3/b26-14+
• InChIKey: HFVGPEIMRHCQHD-VULFUBBASA-N
• XLogP: 7.55
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.40
LogP ≤ 5	7.55
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-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine?

The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50863409) is N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine.

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

The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is CCCN1c2cc(Cl)c(/C=N/c3cccc(Cl)c3C)cc2C(C)CC1(C)C.

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

The InChIKey is HFVGPEIMRHCQHD-VULFUBBASA-N. The full InChI is InChI=1S/C23H28Cl2N2/c1-6-10-27-22-12-20(25)17(11-18(22)15(2)13-23(27,4)5)14-26-21-9-7-8-19(24)16(21)3/h7-9,11-12,14-15H,6,10,13H2,1-5H3/b26-14+.

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

N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 403.40 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-methylphenyl)-1-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50863409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).