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

C28H31FN2O2 — CID 50861503

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

1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine (PubChem CID 50861503) has the molecular formula C28H31FN2O2 and a molecular weight of 446.57 g/mol. Its IUPAC name is 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine.

Molecular Properties

• Compound Name: 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine
• PubChem CID: 50861503
• Molecular Formula: C28H31FN2O2
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.24
• IUPAC Name: 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine
• SMILES: CCN1c2cc(F)c(/C=N/c3ccc(Oc4cccc(OC)c4)cc3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C28H31FN2O2/c1-6-31-27-16-26(29)20(14-25(27)19(2)17-28(31,3)4)18-30-21-10-12-22(13-11-21)33-24-9-7-8-23(15-24)32-5/h7-16,18-19H,6,17H2,1-5H3/b30-18+
• InChIKey: AOVSSZZDIMQNGM-UXHLAJHPSA-N
• XLogP: 7.49
• 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	446.57
LogP ≤ 5	7.49
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-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine?

The IUPAC name of 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine (CID 50861503) is 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine.

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

The canonical SMILES for 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine is CCN1c2cc(F)c(/C=N/c3ccc(Oc4cccc(OC)c4)cc3)cc2C(C)CC1(C)C.

What is the InChIKey of 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine?

The InChIKey is AOVSSZZDIMQNGM-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H31FN2O2/c1-6-31-27-16-26(29)20(14-25(27)19(2)17-28(31,3)4)18-30-21-10-12-22(13-11-21)33-24-9-7-8-23(15-24)32-5/h7-16,18-19H,6,17H2,1-5H3/b30-18+.

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

1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine has a molecular weight of 446.57 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-[4-(3-methoxyphenoxy)phenyl]methanimine is sourced from PubChem (CID 50861503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).