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

C28H32N2O2 — CID 99865717

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

1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine (PubChem CID 99865717) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

• Compound Name: 1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
• PubChem CID: 99865717
• Molecular Formula: C28H32N2O2
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.25
• IUPAC Name: 1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine
• SMILES: CCN1c2ccc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2[C@@H](C)CC1(C)C
• InChI: InChI=1S/C28H32N2O2/c1-6-30-27-16-7-21(17-26(27)20(2)18-28(30,3)4)19-29-22-8-10-24(11-9-22)32-25-14-12-23(31-5)13-15-25/h7-17,19-20H,6,18H2,1-5H3/b29-19+/t20-/m0/s1
• InChIKey: KMFOPKYSPKYMHP-ZUSSYJGPSA-N
• XLogP: 7.35
• TPSA: 34.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	7.35
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-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine?

The IUPAC name of 1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine (CID 99865717) is 1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine.

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

The canonical SMILES for 1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine is CCN1c2ccc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2[C@@H](C)CC1(C)C.

What is the InChIKey of 1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine?

The InChIKey is KMFOPKYSPKYMHP-ZUSSYJGPSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-6-30-27-16-7-21(17-26(27)20(2)18-28(30,3)4)19-29-22-8-10-24(11-9-22)32-25-14-12-23(31-5)13-15-25/h7-17,19-20H,6,18H2,1-5H3/b29-19+/t20-/m0/s1.

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

1-[(4S)-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine has a molecular weight of 428.58 g/mol, XLogP of 7.35, 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-trimethyl-3,4-dihydroquinolin-6-yl]-N-[4-(4-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 99865717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).