1-methyl-8-(2-methylphenyl)quinolin-1-ium

C17H16N+ — CID 176621990

IUPAC1-methyl-8-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccccc1-c1cccc2ccc[n+](C)c12
InChIInChI=1S/C17H16N/c1-13-7-3-4-10-15(13)16-11-5-8-14-9-6-12-18(2)17(14)16/h3-12H,1-2H3/q+1
InChIKeyUFWMDBZHXWOWAC-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.64
Rot. Bonds1

About 1-methyl-8-(2-methylphenyl)quinolin-1-ium

1-methyl-8-(2-methylphenyl)quinolin-1-ium (PubChem CID 176621990) has the molecular formula C17H16N+ and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-methyl-8-(2-methylphenyl)quinolin-1-ium.

Molecular Properties

Compound Name1-methyl-8-(2-methylphenyl)quinolin-1-ium
PubChem CID176621990
Molecular FormulaC17H16N+
Molecular Weight234.32 g/mol
Exact Mass234.13
IUPAC Name1-methyl-8-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccccc1-c1cccc2ccc[n+](C)c12
InChIInChI=1S/C17H16N/c1-13-7-3-4-10-15(13)16-11-5-8-14-9-6-12-18(2)17(14)16/h3-12H,1-2H3/q+1
InChIKeyUFWMDBZHXWOWAC-UHFFFAOYSA-N
XLogP3.64
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methylquinolin-1-ium-8-ol;chloride;hydrate
CID 71430086
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881406
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1-oxido-8-(1-oxidoquinolin-1-ium-8-yl)quinolin-1-ium
CID 122391363
ethane;8-methyl-1-oxidoquinolin-1-ium
CID 91532902
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
1,12-dimethylbenzo[f][1,10]phenanthroline-1,12-diium
CID 123562585
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium
CID 123739246
2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
CID 123291859
2-[[2,6-bis(2-methylphenyl)phenyl]disulfanyl]-1,3-bis(2-methylphenyl)benzene
CID 87488386

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methylphenyl)quinolin-1-ium?
The IUPAC name of 1-methyl-8-(2-methylphenyl)quinolin-1-ium (CID 176621990) is 1-methyl-8-(2-methylphenyl)quinolin-1-ium.
What is the SMILES notation for 1-methyl-8-(2-methylphenyl)quinolin-1-ium?
The canonical SMILES for 1-methyl-8-(2-methylphenyl)quinolin-1-ium is Cc1ccccc1-c1cccc2ccc[n+](C)c12.
What is the InChIKey of 1-methyl-8-(2-methylphenyl)quinolin-1-ium?
The InChIKey is UFWMDBZHXWOWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N/c1-13-7-3-4-10-15(13)16-11-5-8-14-9-6-12-18(2)17(14)16/h3-12H,1-2H3/q+1.
What are the key properties of 1-methyl-8-(2-methylphenyl)quinolin-1-ium?
1-methyl-8-(2-methylphenyl)quinolin-1-ium has a molecular weight of 234.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methylphenyl)quinolin-1-ium is sourced from PubChem (CID 176621990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).