2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium

C80H88N4+4 — CID 161299419

About 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium

2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium (PubChem CID 161299419) has the molecular formula C80H88N4+4 and a molecular weight of 1105.61 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
• PubChem CID: 161299419
• Molecular Formula: C80H88N4+4
• Molecular Weight: 1105.61 g/mol
• Exact Mass: 1104.70
• IUPAC Name: 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
• SMILES: Cc1cc(C)c(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1
• InChI: InChI=1S/C21H24N.2C20H22N.C19H20N/c1-13-9-15(3)17(5)19(11-13)20-8-7-18-16(4)10-14(2)12-21(18)22(20)6;1-13-6-7-17-8-9-19(21(5)20(17)12-13)18-11-14(2)10-15(3)16(18)4;1-13-6-7-15(3)18(11-13)19-9-8-17-16(4)10-14(2)12-20(17)21(19)5;1-13-5-7-15(3)17(11-13)18-10-9-16-8-6-14(2)12-19(16)20(18)4/h7-12H,1-6H3;2*6-12H,1-5H3;5-12H,1-4H3/q4*+1
• InChIKey: CJWIJBFRNVSYMP-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 15.52 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.61
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The IUPAC name of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium (CID 161299419) is 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The canonical SMILES for 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium is Cc1cc(C)c(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3c(C)cc(C)cc3[n+]2C)c1.Cc1ccc(C)c(-c2ccc3ccc(C)cc3[n+]2C)c1.

What is the InChIKey of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The InChIKey is CJWIJBFRNVSYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N.2C20H22N.C19H20N/c1-13-9-15(3)17(5)19(11-13)20-8-7-18-16(4)10-14(2)12-21(18)22(20)6;1-13-6-7-17-8-9-19(21(5)20(17)12-13)18-11-14(2)10-15(3)16(18)4;1-13-6-7-15(3)18(11-13)19-9-8-17-16(4)10-14(2)12-20(17)21(19)5;1-13-5-7-15(3)17(11-13)18-10-9-16-8-6-14(2)12-19(16)20(18)4/h7-12H,1-6H3;2*6-12H,1-5H3;5-12H,1-4H3/q4*+1.

What are the key properties of 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium has a molecular weight of 1105.61 g/mol, XLogP of 18.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium is sourced from PubChem (CID 161299419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).