6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium

C110H119N9+4 — CID 158776482

About 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium

6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium (PubChem CID 158776482) has the molecular formula C110H119N9+4 and a molecular weight of 1567.22 g/mol. Its IUPAC name is 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium.

Molecular Properties

• Compound Name: 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium
• PubChem CID: 158776482
• Molecular Formula: C110H119N9+4
• Molecular Weight: 1567.22 g/mol
• Exact Mass: 1565.96
• IUPAC Name: 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium
• SMILES: Cc1cc(C)c(C)c(-c2cc3cc(-c4ccc(C5CCCC5)nc4)ccc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3cc(-c4ccc(CC(C)(C)C)nc4)ccc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3cc(-c4ccc(CC(C)C)nc4)ccc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3cc(-c4cnc(C)nc4)ccc3c[n+]2C)c1
• InChI: InChI=1S/C29H31N2.C29H33N2.C28H31N2.C24H24N3/c1-19-13-20(2)21(3)27(14-19)29-16-26-15-23(9-10-25(26)18-31(29)4)24-11-12-28(30-17-24)22-7-5-6-8-22;1-19-12-20(2)21(3)27(13-19)28-15-25-14-22(8-9-24(25)18-31(28)7)23-10-11-26(30-17-23)16-29(4,5)6;1-18(2)11-26-10-9-23(16-29-26)22-7-8-24-17-30(6)28(15-25(24)14-22)27-13-19(3)12-20(4)21(27)5;1-15-8-16(2)17(3)23(9-15)24-11-21-10-19(6-7-20(21)14-27(24)5)22-12-25-18(4)26-13-22/h9-18,22H,5-8H2,1-4H3;8-15,17-18H,16H2,1-7H3;7-10,12-18H,11H2,1-6H3;6-14H,1-5H3/q4*+1
• InChIKey: JLHZVSONJJZOGR-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 79.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1567.22
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The IUPAC name of 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium (CID 158776482) is 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium.

What is the SMILES notation for 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The canonical SMILES for 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium is Cc1cc(C)c(C)c(-c2cc3cc(-c4ccc(C5CCCC5)nc4)ccc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3cc(-c4ccc(CC(C)(C)C)nc4)ccc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3cc(-c4ccc(CC(C)C)nc4)ccc3c[n+]2C)c1.Cc1cc(C)c(C)c(-c2cc3cc(-c4cnc(C)nc4)ccc3c[n+]2C)c1.

What is the InChIKey of 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The InChIKey is JLHZVSONJJZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N2.C29H33N2.C28H31N2.C24H24N3/c1-19-13-20(2)21(3)27(14-19)29-16-26-15-23(9-10-25(26)18-31(29)4)24-11-12-28(30-17-24)22-7-5-6-8-22;1-19-12-20(2)21(3)27(13-19)28-15-25-14-22(8-9-24(25)18-31(28)7)23-10-11-26(30-17-23)16-29(4,5)6;1-18(2)11-26-10-9-23(16-29-26)22-7-8-24-17-30(6)28(15-25(24)14-22)27-13-19(3)12-20(4)21(27)5;1-15-8-16(2)17(3)23(9-15)24-11-21-10-19(6-7-20(21)14-27(24)5)22-12-25-18(4)26-13-22/h9-18,22H,5-8H2,1-4H3;8-15,17-18H,16H2,1-7H3;7-10,12-18H,11H2,1-6H3;6-14H,1-5H3/q4*+1.

What are the key properties of 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium has a molecular weight of 1567.22 g/mol, XLogP of 25.42, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyclopentyl-3-pyridinyl)-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;6-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2-methyl-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-[6-(2-methylpropyl)-3-pyridinyl]-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium;2-methyl-6-(2-methylpyrimidin-5-yl)-3-(2,3,5-trimethylphenyl)isoquinolin-2-ium is sourced from PubChem (CID 158776482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).