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

C29H33FN2O — CID 50863496

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

1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine (PubChem CID 50863496) has the molecular formula C29H33FN2O and a molecular weight of 444.59 g/mol. Its IUPAC name is 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine.

Molecular Properties

• Compound Name: 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
• PubChem CID: 50863496
• Molecular Formula: C29H33FN2O
• Molecular Weight: 444.59 g/mol
• Exact Mass: 444.26
• IUPAC Name: 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine
• SMILES: CCCN1c2cc(F)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)CC1(C)C
• InChI: InChI=1S/C29H33FN2O/c1-6-15-32-28-17-27(30)22(16-26(28)21(3)18-29(32,4)5)19-31-23-9-13-25(14-10-23)33-24-11-7-20(2)8-12-24/h7-14,16-17,19,21H,6,15,18H2,1-5H3/b31-19+
• InChIKey: QPZBBYIKKBKWEY-ZCTHSVRISA-N
• XLogP: 8.18
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.59
LogP ≤ 5	8.18
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 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine?

The IUPAC name of 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine (CID 50863496) is 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine.

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

The canonical SMILES for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine is CCCN1c2cc(F)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)CC1(C)C.

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

The InChIKey is QPZBBYIKKBKWEY-ZCTHSVRISA-N. The full InChI is InChI=1S/C29H33FN2O/c1-6-15-32-28-17-27(30)22(16-26(28)21(3)18-29(32,4)5)19-31-23-9-13-25(14-10-23)33-24-11-7-20(2)8-12-24/h7-14,16-17,19,21H,6,15,18H2,1-5H3/b31-19+.

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

1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine has a molecular weight of 444.59 g/mol, XLogP of 8.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methylphenoxy)phenyl]methanimine is sourced from PubChem (CID 50863496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).