1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium

C85H80N5+5 — CID 157460645

About 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium

1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium (PubChem CID 157460645) has the molecular formula C85H80N5+5 and a molecular weight of 1171.61 g/mol. Its IUPAC name is 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
• PubChem CID: 157460645
• Molecular Formula: C85H80N5+5
• Molecular Weight: 1171.61 g/mol
• Exact Mass: 1170.64
• IUPAC Name: 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
• SMILES: Cc1cc2ccccc2cc1-c1cccc[n+]1C.Cc1ccc2ccccc2c1-c1cccc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C
• InChI: InChI=1S/5C17H16N/c1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;1-13-11-14-7-3-4-8-15(14)12-16(13)17-9-5-6-10-18(17)2/h5*3-12H,1-2H3/q5*+1
• InChIKey: UNJVQUDUKPBQJR-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 19.40 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1171.61
LogP ≤ 5	18.20
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 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?

The IUPAC name of 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium (CID 157460645) is 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium.

What is the SMILES notation for 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?

The canonical SMILES for 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium is Cc1cc2ccccc2cc1-c1cccc[n+]1C.Cc1ccc2ccccc2c1-c1cccc[n+]1C.Cc1ccccc1-c1c2ccccc2cc[n+]1C.Cc1ccccc1-c1cc2ccccc2c[n+]1C.Cc1ccccc1-c1ccc2ccccc2[n+]1C.

What is the InChIKey of 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?

The InChIKey is UNJVQUDUKPBQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H16N/c1-13-7-3-6-10-16(13)17-11-14-8-4-5-9-15(14)12-18(17)2;1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2;1-13-7-3-5-9-15(13)17-12-11-14-8-4-6-10-16(14)18(17)2;1-13-10-11-14-7-3-4-8-15(14)17(13)16-9-5-6-12-18(16)2;1-13-11-14-7-3-4-8-15(14)12-16(13)17-9-5-6-10-18(17)2/h5*3-12H,1-2H3/q5*+1.

What are the key properties of 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium?

1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium has a molecular weight of 1171.61 g/mol, XLogP of 18.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium is sourced from PubChem (CID 157460645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).