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

C26H27ClN2O — CID 50859359

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

1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 50859359) has the molecular formula C26H27ClN2O and a molecular weight of 418.97 g/mol. Its IUPAC name is 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

• Compound Name: 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
• PubChem CID: 50859359
• Molecular Formula: C26H27ClN2O
• Molecular Weight: 418.97 g/mol
• Exact Mass: 418.18
• IUPAC Name: 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
• SMILES: CC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21
• InChI: InChI=1S/C26H27ClN2O/c1-18-16-26(2,3)29(4)25-15-24(27)19(14-23(18)25)17-28-20-10-12-22(13-11-20)30-21-8-6-5-7-9-21/h5-15,17-18H,16H2,1-4H3/b28-17+
• InChIKey: RVWIKEBILOIGAJ-OGLMXYFKSA-N
• XLogP: 7.60
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.97
LogP ≤ 5	7.60
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 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine?

The IUPAC name of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine (CID 50859359) is 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine.

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

The canonical SMILES for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine is CC1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21.

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

The InChIKey is RVWIKEBILOIGAJ-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H27ClN2O/c1-18-16-26(2,3)29(4)25-15-24(27)19(14-23(18)25)17-28-20-10-12-22(13-11-20)30-21-8-6-5-7-9-21/h5-15,17-18H,16H2,1-4H3/b28-17+.

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

1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 418.97 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 50859359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).