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

C23H30N2 — CID 99865763

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

1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine (PubChem CID 99865763) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine.

Molecular Properties

• Compound Name: 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine
• PubChem CID: 99865763
• Molecular Formula: C23H30N2
• Molecular Weight: 334.51 g/mol
• Exact Mass: 334.24
• IUPAC Name: 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine
• SMILES: CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2[C@@H](C)CC1(C)C
• InChI: InChI=1S/C23H30N2/c1-7-25-22-12-17(3)19(13-21(22)18(4)14-23(25,5)6)15-24-20-10-8-16(2)9-11-20/h8-13,15,18H,7,14H2,1-6H3/b24-15+/t18-/m0/s1
• InChIKey: ONZWYFZWZWTUJF-WORIPGKHSA-N
• XLogP: 6.17
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	334.51
LogP ≤ 5	6.17
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 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine?

The IUPAC name of 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine (CID 99865763) is 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine.

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

The canonical SMILES for 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine is CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2[C@@H](C)CC1(C)C.

What is the InChIKey of 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine?

The InChIKey is ONZWYFZWZWTUJF-WORIPGKHSA-N. The full InChI is InChI=1S/C23H30N2/c1-7-25-22-12-17(3)19(13-21(22)18(4)14-23(25,5)6)15-24-20-10-8-16(2)9-11-20/h8-13,15,18H,7,14H2,1-6H3/b24-15+/t18-/m0/s1.

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

1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine has a molecular weight of 334.51 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 99865763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).