5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium

C106H114N12+4 — CID 158135474

About 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium

5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium (PubChem CID 158135474) has the molecular formula C106H114N12+4 and a molecular weight of 1556.16 g/mol. Its IUPAC name is 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

Molecular Properties

• Compound Name: 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
• PubChem CID: 158135474
• Molecular Formula: C106H114N12+4
• Molecular Weight: 1556.16 g/mol
• Exact Mass: 1554.93
• IUPAC Name: 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium
• SMILES: Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(C(C)C)cn4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(C)cn4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(C5CCCC5)nc4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(CC(C)(C)C)nc4)cccc3[n+]2C)c1
• InChI: InChI=1S/C28H30N3.C28H32N3.C26H28N3.C24H24N3/c1-18-14-19(2)20(3)25(15-18)27-13-12-24-23(10-7-11-26(24)31(27)4)22-16-29-28(30-17-22)21-8-5-6-9-21;1-18-13-19(2)20(3)24(14-18)26-12-11-23-22(9-8-10-25(23)31(26)7)21-16-29-27(30-17-21)15-28(4,5)6;1-16(2)23-14-28-24(15-27-23)20-8-7-9-25-21(20)10-11-26(29(25)6)22-13-17(3)12-18(4)19(22)5;1-15-11-16(2)18(4)21(12-15)24-10-9-20-19(7-6-8-23(20)27(24)5)22-14-25-17(3)13-26-22/h7,10-17,21H,5-6,8-9H2,1-4H3;8-14,16-17H,15H2,1-7H3;7-16H,1-6H3;6-14H,1-5H3/q4*+1
• InChIKey: UUZAFPMVYLJFDF-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 118.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1556.16
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The IUPAC name of 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium (CID 158135474) is 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium.

What is the SMILES notation for 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The canonical SMILES for 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium is Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(C(C)C)cn4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(C)cn4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(C5CCCC5)nc4)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3c(-c4cnc(CC(C)(C)C)nc4)cccc3[n+]2C)c1.

What is the InChIKey of 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

The InChIKey is UUZAFPMVYLJFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N3.C28H32N3.C26H28N3.C24H24N3/c1-18-14-19(2)20(3)25(15-18)27-13-12-24-23(10-7-11-26(24)31(27)4)22-16-29-28(30-17-22)21-8-5-6-9-21;1-18-13-19(2)20(3)24(14-18)26-12-11-23-22(9-8-10-25(23)31(26)7)21-16-29-27(30-17-21)15-28(4,5)6;1-16(2)23-14-28-24(15-27-23)20-8-7-9-25-21(20)10-11-26(29(25)6)22-13-17(3)12-18(4)19(22)5;1-15-11-16(2)18(4)21(12-15)24-10-9-20-19(7-6-8-23(20)27(24)5)22-14-25-17(3)13-26-22/h7,10-17,21H,5-6,8-9H2,1-4H3;8-14,16-17H,15H2,1-7H3;7-16H,1-6H3;6-14H,1-5H3/q4*+1.

What are the key properties of 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium?

5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium has a molecular weight of 1556.16 g/mol, XLogP of 23.53, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-cyclopentylpyrimidin-5-yl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;5-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-methylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-5-(5-propan-2-ylpyrazin-2-yl)-2-(2,3,5-trimethylphenyl)quinolin-1-ium is sourced from PubChem (CID 158135474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).