4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium

C18H17FN+ — CID 153466967

IUPAC4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccc2c(c1)c(F)cc(-c1ccccc1C)[n+]2C
InChIInChI=1S/C18H17FN/c1-12-8-9-17-15(10-12)16(19)11-18(20(17)3)14-7-5-4-6-13(14)2/h4-11H,1-3H3/q+1
InChIKeyMHTMBFXMUIJVAG-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds1

About 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium

4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium (PubChem CID 153466967) has the molecular formula C18H17FN+ and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium.

Molecular Properties

Compound Name4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium
PubChem CID153466967
Molecular FormulaC18H17FN+
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccc2c(c1)c(F)cc(-c1ccccc1C)[n+]2C
InChIInChI=1S/C18H17FN/c1-12-8-9-17-15(10-12)16(19)11-18(20(17)3)14-7-5-4-6-13(14)2/h4-11H,1-3H3/q+1
InChIKeyMHTMBFXMUIJVAG-UHFFFAOYSA-N
XLogP4.09
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-2-(2,5-dimethylphenyl)-6-fluoro-1-methylquinolin-1-ium
CID 123844364
1,4-dimethyl-2-(2-methylphenyl)-6-(2,4,5-trimethylphenyl)pyridin-1-ium
CID 140944316
6-tert-butyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 170404904
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 153466956
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
2-(2,5-dimethylphenyl)-1,7-dimethylquinolin-1-ium;2-(2,5-dimethylphenyl)-1,5,7-trimethylquinolin-1-ium;1,5-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,7-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium;1,5,7-trimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 157049607
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
4-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)pyridin-1-ium
CID 161128018
2-(2,4-dimethylphenyl)-5-fluoro-1,3-dimethylpyridin-1-ium;6-(2,4-dimethylphenyl)-3-fluoro-1,2-dimethylpyridin-1-ium;2-(2,4-dimethylphenyl)-4-fluoro-1-methylpyridin-1-ium;5-fluoro-1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 160763740
2,4-dimethyl-5-(2-methylphenyl)-1-phenylpyrrolo[3,2-b]pyridin-4-ium
CID 157436828
1-methyl-2-(2-methylphenyl)-4,7-bis(2-methylpropyl)quinolin-1-ium
CID 170404969

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium?
The IUPAC name of 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium (CID 153466967) is 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium.
What is the SMILES notation for 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium?
The canonical SMILES for 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium is Cc1ccc2c(c1)c(F)cc(-c1ccccc1C)[n+]2C.
What is the InChIKey of 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium?
The InChIKey is MHTMBFXMUIJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN/c1-12-8-9-17-15(10-12)16(19)11-18(20(17)3)14-7-5-4-6-13(14)2/h4-11H,1-3H3/q+1.
What are the key properties of 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium?
4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium has a molecular weight of 266.34 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,6-dimethyl-2-(2-methylphenyl)quinolin-1-ium is sourced from PubChem (CID 153466967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).