N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine

C24H32N2O — CID 50862167

About N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50862167) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
• PubChem CID: 50862167
• Molecular Formula: C24H32N2O
• Molecular Weight: 364.53 g/mol
• Exact Mass: 364.25
• IUPAC Name: N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
• SMILES: CCN1c2cc(OC)c(/C=N/c3cc(C)ccc3C)cc2C(C)CC1(C)C
• InChI: InChI=1S/C24H32N2O/c1-8-26-22-13-23(27-7)19(12-20(22)18(4)14-24(26,5)6)15-25-21-11-16(2)9-10-17(21)3/h9-13,15,18H,8,14H2,1-7H3/b25-15+
• InChIKey: QIGDURITNZRWEY-MFKUBSTISA-N
• XLogP: 6.17
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.53
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?

The IUPAC name of N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50862167) is N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine.

What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?

The canonical SMILES for N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine is CCN1c2cc(OC)c(/C=N/c3cc(C)ccc3C)cc2C(C)CC1(C)C.

What is the InChIKey of N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?

The InChIKey is QIGDURITNZRWEY-MFKUBSTISA-N. The full InChI is InChI=1S/C24H32N2O/c1-8-26-22-13-23(27-7)19(12-20(22)18(4)14-24(26,5)6)15-25-21-11-16(2)9-10-17(21)3/h9-13,15,18H,8,14H2,1-7H3/b25-15+.

What are the key properties of N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine?

N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 364.53 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50862167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).