1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium

C118H130N5+5 — CID 158426235

About 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium

1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium (PubChem CID 158426235) has the molecular formula C118H130N5+5 and a molecular weight of 1618.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium.

Molecular Properties

• Compound Name: 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
• PubChem CID: 158426235
• Molecular Formula: C118H130N5+5
• Molecular Weight: 1618.37 g/mol
• Exact Mass: 1617.03
• IUPAC Name: 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
• SMILES: Cc1cc(C)c(C)c(-c2c3ccc(C(C)C)cc3cc[n+]2C)c1.Cc1cc2c(cc1-c1c3ccc(C(C)C)cc3cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1cc2ccccc2cc1-c1c2ccc(C(C)C)cc2cc[n+]1C.Cc1ccc(C)c(-c2c3ccc(CC(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc(CC(C)C)cc2cc[n+]1C
• InChI: InChI=1S/C29H30N.C24H24N.2C22H26N.C21H24N/c1-18(2)20-11-12-22-21(16-20)13-14-30(6)28(22)24-17-27-25(15-19(24)3)23-9-7-8-10-26(23)29(27,4)5;1-16(2)18-9-10-22-21(14-18)11-12-25(4)24(22)23-15-20-8-6-5-7-19(20)13-17(23)3;1-14(2)18-7-8-20-19(13-18)9-10-23(6)22(20)21-12-15(3)11-16(4)17(21)5;1-15(2)12-18-8-9-20-19(14-18)10-11-23(5)22(20)21-13-16(3)6-7-17(21)4;1-15(2)13-17-9-10-20-18(14-17)11-12-22(4)21(20)19-8-6-5-7-16(19)3/h7-18H,1-6H3;5-16H,1-4H3;7-14H,1-6H3;6-11,13-15H,12H2,1-5H3;5-12,14-15H,13H2,1-4H3/q5*+1
• InChIKey: VAMHKAYDLYGBHA-UHFFFAOYSA-N
• XLogP: 28.35
• TPSA: 19.40 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1618.37
LogP ≤ 5	28.35
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 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The IUPAC name of 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium (CID 158426235) is 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium.

What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The canonical SMILES for 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium is Cc1cc(C)c(C)c(-c2c3ccc(C(C)C)cc3cc[n+]2C)c1.Cc1cc2c(cc1-c1c3ccc(C(C)C)cc3cc[n+]1C)C(C)(C)c1ccccc1-2.Cc1cc2ccccc2cc1-c1c2ccc(C(C)C)cc2cc[n+]1C.Cc1ccc(C)c(-c2c3ccc(CC(C)C)cc3cc[n+]2C)c1.Cc1ccccc1-c1c2ccc(CC(C)C)cc2cc[n+]1C.

What is the InChIKey of 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

The InChIKey is VAMHKAYDLYGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N.C24H24N.2C22H26N.C21H24N/c1-18(2)20-11-12-22-21(16-20)13-14-30(6)28(22)24-17-27-25(15-19(24)3)23-9-7-8-10-26(23)29(27,4)5;1-16(2)18-9-10-22-21(14-18)11-12-25(4)24(22)23-15-20-8-6-5-7-19(20)13-17(23)3;1-14(2)18-7-8-20-19(13-18)9-10-23(6)22(20)21-12-15(3)11-16(4)17(21)5;1-15(2)12-18-8-9-20-19(14-18)10-11-23(5)22(20)21-13-16(3)6-7-17(21)4;1-15(2)13-17-9-10-20-18(14-17)11-12-22(4)21(20)19-8-6-5-7-16(19)3/h7-18H,1-6H3;5-16H,1-4H3;7-14H,1-6H3;6-11,13-15H,12H2,1-5H3;5-12,14-15H,13H2,1-4H3/q5*+1.

What are the key properties of 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium?

1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium has a molecular weight of 1618.37 g/mol, XLogP of 28.35, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethylphenyl)-2-methyl-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium;2-methyl-1-(2-methylphenyl)-6-(2-methylpropyl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(3,9,9-trimethylfluoren-2-yl)isoquinolin-2-ium;2-methyl-6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium is sourced from PubChem (CID 158426235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).