2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium

C104H110F8N5+5 — CID 159762870

About 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium

2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium (PubChem CID 159762870) has the molecular formula C104H110F8N5+5 and a molecular weight of 1582.04 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
• PubChem CID: 159762870
• Molecular Formula: C104H110F8N5+5
• Molecular Weight: 1582.04 g/mol
• Exact Mass: 1580.86
• IUPAC Name: 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
• SMILES: Cc1cc(C)c(C)c(-c2cc(CC(C)(C)C(F)(F)F)c3c(F)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(F)c3ccc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(C)c(F)c(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C)c(F)c(C)cc3[n+]2C)c1.Cc1ccccc1-c1ccc2c(C)c(F)c(C)cc2[n+]1C
• InChI: InChI=1S/C24H26F4N.C21H23FN.2C20H21FN.C19H19FN/c1-14-10-15(2)16(3)18(11-14)21-12-17(13-23(4,5)24(26,27)28)22-19(25)8-7-9-20(22)29(21)6;1-12-9-13(2)15(4)18(10-12)19-8-7-17-16(5)21(22)14(3)11-20(17)23(19)6;1-12-6-7-16-18(21)11-20(22(5)19(16)10-12)17-9-13(2)8-14(3)15(17)4;1-12-6-7-13(2)17(10-12)18-9-8-16-15(4)20(21)14(3)11-19(16)22(18)5;1-12-7-5-6-8-15(12)17-10-9-16-14(3)19(20)13(2)11-18(16)21(17)4/h7-12H,13H2,1-6H3;7-11H,1-6H3;2*6-11H,1-5H3;5-11H,1-4H3/q5*+1
• InChIKey: YLUHOSHJTUTZAZ-UHFFFAOYSA-N
• XLogP: 25.34
• TPSA: 19.40 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1582.04
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The IUPAC name of 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium (CID 159762870) is 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The canonical SMILES for 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium is Cc1cc(C)c(C)c(-c2cc(CC(C)(C)C(F)(F)F)c3c(F)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc(F)c3ccc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(C)c(F)c(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C)c(F)c(C)cc3[n+]2C)c1.Cc1ccccc1-c1ccc2c(C)c(F)c(C)cc2[n+]1C.

What is the InChIKey of 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The InChIKey is YLUHOSHJTUTZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N.C21H23FN.2C20H21FN.C19H19FN/c1-14-10-15(2)16(3)18(11-14)21-12-17(13-23(4,5)24(26,27)28)22-19(25)8-7-9-20(22)29(21)6;1-12-9-13(2)15(4)18(10-12)19-8-7-17-16(5)21(22)14(3)11-20(17)23(19)6;1-12-6-7-16-18(21)11-20(22(5)19(16)10-12)17-9-13(2)8-14(3)15(17)4;1-12-6-7-13(2)17(10-12)18-9-8-16-15(4)20(21)14(3)11-19(16)22(18)5;1-12-7-5-6-8-15(12)17-10-9-16-14(3)19(20)13(2)11-18(16)21(17)4/h7-12H,13H2,1-6H3;7-11H,1-6H3;2*6-11H,1-5H3;5-11H,1-4H3/q5*+1.

What are the key properties of 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium has a molecular weight of 1582.04 g/mol, XLogP of 25.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylphenyl)-6-fluoro-1,5,7-trimethylquinolin-1-ium;4-fluoro-1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-fluoro-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2-methylphenyl)quinolin-1-ium;6-fluoro-1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium is sourced from PubChem (CID 159762870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).