8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate

C63H77N9O7+6 — CID 159075176

About 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate

8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate (PubChem CID 159075176) has the molecular formula C63H77N9O7+6 and a molecular weight of 1072.36 g/mol. Its IUPAC name is 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate.

Molecular Properties

• Compound Name: 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate
• PubChem CID: 159075176
• Molecular Formula: C63H77N9O7+6
• Molecular Weight: 1072.36 g/mol
• Exact Mass: 1071.59
• IUPAC Name: 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate
• SMILES: COC(=O)c1cc(C)n(C)[n+]1C.COC(=O)c1cc2ccccc2c[n+]1C.COc1cccc2ccc[n+](C)c12.COc1ccccc1-n1ccc[n+]1C.COc1ccccc1C=[N+](C)C.Cc1ccccc1-n1ccc[n+]1C
• InChI: InChI=1S/C12H12NO2.C11H13N2O.C11H13N2.C11H12NO.C10H14NO.C8H13N2O2/c1-13-8-10-6-4-3-5-9(10)7-11(13)12(14)15-2;1-12-8-5-9-13(12)10-6-3-4-7-11(10)14-2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-12-8-4-6-9-5-3-7-10(13-2)11(9)12;1-11(2)8-9-6-4-5-7-10(9)12-3;1-6-5-7(8(11)12-4)10(3)9(6)2/h3-8H,1-2H3;3-9H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;5H,1-4H3/q6*+1
• InChIKey: MSSHSJSYSDPCIL-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 117.49 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1072.36
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate?

The IUPAC name of 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate (CID 159075176) is 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate.

What is the SMILES notation for 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate?

The canonical SMILES for 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate is COC(=O)c1cc(C)n(C)[n+]1C.COC(=O)c1cc2ccccc2c[n+]1C.COc1cccc2ccc[n+](C)c12.COc1ccccc1-n1ccc[n+]1C.COc1ccccc1C=[N+](C)C.Cc1ccccc1-n1ccc[n+]1C.

What is the InChIKey of 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate?

The InChIKey is MSSHSJSYSDPCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO2.C11H13N2O.C11H13N2.C11H12NO.C10H14NO.C8H13N2O2/c1-13-8-10-6-4-3-5-9(10)7-11(13)12(14)15-2;1-12-8-5-9-13(12)10-6-3-4-7-11(10)14-2;1-10-6-3-4-7-11(10)13-9-5-8-12(13)2;1-12-8-4-6-9-5-3-7-10(13-2)11(9)12;1-11(2)8-9-6-4-5-7-10(9)12-3;1-6-5-7(8(11)12-4)10(3)9(6)2/h3-8H,1-2H3;3-9H,1-2H3;3-9H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;5H,1-4H3/q6*+1.

What are the key properties of 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate?

8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate has a molecular weight of 1072.36 g/mol, XLogP of 7.38, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-1-methylquinolin-1-ium;(2-methoxyphenyl)methylidene-dimethylazanium;1-(2-methoxyphenyl)-2-methylpyrazol-2-ium;methyl 2-methylisoquinolin-2-ium-3-carboxylate;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;methyl 1,2,5-trimethylpyrazol-2-ium-3-carboxylate is sourced from PubChem (CID 159075176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).