8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline

C18H19N2+ — CID 140917849

IUPAC8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline
SMILES[2H]C([2H])([2H])c1cnc2c(C)c(-c3ccc(C([2H])([2H])[2H])c[n+]3C)ccc2c1
InChIInChI=1S/C18H19N2/c1-12-5-8-17(20(4)11-12)16-7-6-15-9-13(2)10-19-18(15)14(16)3/h5-11H,1-4H3/q+1/i1D3,2D3
InChIKeyKOHVNDOXWZHWLT-WFGJKAKNSA-N
MW269.40 g/mol
LogP3.65
Rot. Bonds3

About 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline

8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline (PubChem CID 140917849) has the molecular formula C18H19N2+ and a molecular weight of 269.40 g/mol. Its IUPAC name is 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline.

Molecular Properties

Compound Name8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline
PubChem CID140917849
Molecular FormulaC18H19N2+
Molecular Weight269.40 g/mol
Exact Mass269.19
IUPAC Name8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline
SMILES[2H]C([2H])([2H])c1cnc2c(C)c(-c3ccc(C([2H])([2H])[2H])c[n+]3C)ccc2c1
InChIInChI=1S/C18H19N2/c1-12-5-8-17(20(4)11-12)16-7-6-15-9-13(2)10-19-18(15)14(16)3/h5-11H,1-4H3/q+1/i1D3,2D3
InChIKeyKOHVNDOXWZHWLT-WFGJKAKNSA-N
XLogP3.65
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 140677194
3,8-dimethyl-1,10-phenanthroline
CID 159392628
2-[4-tert-butyl-1-methyl-6-(trideuteriomethyl)naphthalen-2-yl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162132165
1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-5-[4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 167346400
2-(5-tert-butyl-4-fluoro-2-methylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 167365495
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
1-methyl-2-(2,11,11,12,12-pentamethylchrysen-3-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 140940624
4-[4-methyl-5-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-2-(trideuteriomethyl)phenyl]benzonitrile
CID 166043921
5,14-dimethyl-13-[2-methyl-4-(trideuteriomethyl)phenyl]-17-thia-2-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 157291479
7-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;7-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole;7-(1,4-dimethylpyridin-1-ium-2-yl)-6-methylpyrido[1,2-a]benzimidazole;6-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole
CID 161141863
5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]pyridin-1-ium
CID 155773460
2-[5-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-2-methyl-4-(trideuteriomethyl)phenyl]-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 166503326

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline?
The IUPAC name of 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline (CID 140917849) is 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline.
What is the SMILES notation for 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline?
The canonical SMILES for 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline is [2H]C([2H])([2H])c1cnc2c(C)c(-c3ccc(C([2H])([2H])[2H])c[n+]3C)ccc2c1.
What is the InChIKey of 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline?
The InChIKey is KOHVNDOXWZHWLT-WFGJKAKNSA-N. The full InChI is InChI=1S/C18H19N2/c1-12-5-8-17(20(4)11-12)16-7-6-15-9-13(2)10-19-18(15)14(16)3/h5-11H,1-4H3/q+1/i1D3,2D3.
What are the key properties of 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline?
8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline has a molecular weight of 269.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-(trideuteriomethyl)quinoline is sourced from PubChem (CID 140917849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).