N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C22H27IN2O — CID 50859725

About N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50859725) has the molecular formula C22H27IN2O and a molecular weight of 462.38 g/mol. Its IUPAC name is N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

• Compound Name: N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
• PubChem CID: 50859725
• Molecular Formula: C22H27IN2O
• Molecular Weight: 462.38 g/mol
• Exact Mass: 462.12
• IUPAC Name: N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
• SMILES: COc1cc2c(cc1/C=N/c1ccc(I)c(C)c1)C(C)CC(C)(C)N2C
• InChI: InChI=1S/C22H27IN2O/c1-14-9-17(7-8-19(14)23)24-13-16-10-18-15(2)12-22(3,4)25(5)20(18)11-21(16)26-6/h7-11,13,15H,12H2,1-6H3/b24-13+
• InChIKey: VGOALAKVHPVSIT-ZMOGYAJESA-N
• XLogP: 6.08
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.38
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The IUPAC name of N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50859725) is N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

What is the SMILES notation for N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The canonical SMILES for N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is COc1cc2c(cc1/C=N/c1ccc(I)c(C)c1)C(C)CC(C)(C)N2C.

What is the InChIKey of N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The InChIKey is VGOALAKVHPVSIT-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H27IN2O/c1-14-9-17(7-8-19(14)23)24-13-16-10-18-15(2)12-22(3,4)25(5)20(18)11-21(16)26-6/h7-11,13,15H,12H2,1-6H3/b24-13+.

What are the key properties of N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 462.38 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50859725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).