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

C23H29ClN2 — CID 50860626

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

N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50860626) has the molecular formula C23H29ClN2 and a molecular weight of 368.95 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
• PubChem CID: 50860626
• Molecular Formula: C23H29ClN2
• Molecular Weight: 368.95 g/mol
• Exact Mass: 368.20
• IUPAC Name: N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
• SMILES: CCN1c2cc(C)c(/C=N/c3ccc(C)c(Cl)c3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C23H29ClN2/c1-7-26-22-10-16(3)18(11-20(22)17(4)13-23(26,5)6)14-25-19-9-8-15(2)21(24)12-19/h8-12,14,17H,7,13H2,1-6H3/b25-14+
• InChIKey: FTYNMTDORJNBBV-AFUMVMLFSA-N
• XLogP: 6.82
• 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	368.95
LogP ≤ 5	6.82
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-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50860626) is N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

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

The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CCN1c2cc(C)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-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?

The InChIKey is FTYNMTDORJNBBV-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H29ClN2/c1-7-26-22-10-16(3)18(11-20(22)17(4)13-23(26,5)6)14-25-19-9-8-15(2)21(24)12-19/h8-12,14,17H,7,13H2,1-6H3/b25-14+.

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

N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 368.95 g/mol, XLogP of 6.82, 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-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50860626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).