N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine

C24H32N2O — CID 125043161

About N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine

N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine (PubChem CID 125043161) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
• PubChem CID: 125043161
• Molecular Formula: C24H32N2O
• Molecular Weight: 364.53 g/mol
• Exact Mass: 364.25
• IUPAC Name: N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine
• SMILES: COc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1
• InChI: InChI=1S/C24H32N2O/c1-16(2)26-23-12-17(3)19(13-22(23)18(4)14-24(26,5)6)15-25-20-8-10-21(27-7)11-9-20/h8-13,15-16,18H,14H2,1-7H3/b25-15+/t18-/m1/s1
• InChIKey: BWXFLSVQILCOTL-BFTFCADCSA-N
• XLogP: 6.25
• 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	6.25
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-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine?

The IUPAC name of N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine (CID 125043161) is N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine.

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

The canonical SMILES for N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine is COc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine?

The InChIKey is BWXFLSVQILCOTL-BFTFCADCSA-N. The full InChI is InChI=1S/C24H32N2O/c1-16(2)26-23-12-17(3)19(13-22(23)18(4)14-24(26,5)6)15-25-20-8-10-21(27-7)11-9-20/h8-13,15-16,18H,14H2,1-7H3/b25-15+/t18-/m1/s1.

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

N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine has a molecular weight of 364.53 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-1-[(4R)-2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methanimine is sourced from PubChem (CID 125043161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).