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

C29H34N2O2 — CID 99865775

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

1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine (PubChem CID 99865775) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

• Compound Name: 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine
• PubChem CID: 99865775
• Molecular Formula: C29H34N2O2
• Molecular Weight: 442.60 g/mol
• Exact Mass: 442.26
• IUPAC Name: 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine
• SMILES: CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2[C@@H](C)CC1(C)C
• InChI: InChI=1S/C29H34N2O2/c1-7-31-26-16-20(2)22(17-25(26)21(3)18-29(31,4)5)19-30-23-12-14-24(15-13-23)33-28-11-9-8-10-27(28)32-6/h8-17,19,21H,7,18H2,1-6H3/b30-19+/t21-/m0/s1
• InChIKey: PIYSNZQQXXPQPC-DDBXXPGKSA-N
• XLogP: 7.66
• TPSA: 34.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.60
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(2-methoxyphenoxy)phenyl]methanimine?

The IUPAC name of 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine (CID 99865775) is 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine.

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

The canonical SMILES for 1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine is CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4OC)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-(2-methoxyphenoxy)phenyl]methanimine?

The InChIKey is PIYSNZQQXXPQPC-DDBXXPGKSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-7-31-26-16-20(2)22(17-25(26)21(3)18-29(31,4)5)19-30-23-12-14-24(15-13-23)33-28-11-9-8-10-27(28)32-6/h8-17,19,21H,7,18H2,1-6H3/b30-19+/t21-/m0/s1.

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

1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine has a molecular weight of 442.60 g/mol, XLogP of 7.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-(2-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 99865775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).