4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium

C23H26N+ — CID 153466956

IUPAC4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccccc1-c1cc(C2CCCCC2)c2ccccc2[n+]1C
InChIInChI=1S/C23H26N/c1-17-10-6-7-13-19(17)23-16-21(18-11-4-3-5-12-18)20-14-8-9-15-22(20)24(23)2/h6-10,13-16,18H,3-5,11-12H2,1-2H3/q+1
InChIKeyRCEPDRZYLIKYAL-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.69
Rot. Bonds2

About 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium

4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium (PubChem CID 153466956) has the molecular formula C23H26N+ and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium.

Molecular Properties

Compound Name4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
PubChem CID153466956
Molecular FormulaC23H26N+
Molecular Weight316.47 g/mol
Exact Mass316.21
IUPAC Name4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
SMILESCc1ccccc1-c1cc(C2CCCCC2)c2ccccc2[n+]1C
InChIInChI=1S/C23H26N/c1-17-10-6-7-13-19(17)23-16-21(18-11-4-3-5-12-18)20-14-8-9-15-22(20)24(23)2/h6-10,13-16,18H,3-5,11-12H2,1-2H3/q+1
InChIKeyRCEPDRZYLIKYAL-UHFFFAOYSA-N
XLogP5.69
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.69
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

4,7-dicyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 170404971
4,7-dicyclopentyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 170404970
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 140802297
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
CID 140920909
5-cyclohexyl-1-methyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 123592244
4-cyclopentyl-1,6-dimethyl-2-(2,3,5-trimethylphenyl)quinolin-1-ium
CID 166501264
3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881300
5,7-dicyclopentyl-1-methyl-2-(3-methylnaphthalen-2-yl)quinolin-1-ium
CID 170405612
5-(6-cyclohexyldibenzothiophen-4-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830125
5-cyclopentyl-1-methyl-2-(4-methylphenanthren-3-yl)quinolin-1-ium
CID 170405655
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
1-cyclopentyl-3-methylnaphthalene
CID 153311987

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium?
The IUPAC name of 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium (CID 153466956) is 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium.
What is the SMILES notation for 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium?
The canonical SMILES for 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium is Cc1ccccc1-c1cc(C2CCCCC2)c2ccccc2[n+]1C.
What is the InChIKey of 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium?
The InChIKey is RCEPDRZYLIKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N/c1-17-10-6-7-13-19(17)23-16-21(18-11-4-3-5-12-18)20-14-8-9-15-22(20)24(23)2/h6-10,13-16,18H,3-5,11-12H2,1-2H3/q+1.
What are the key properties of 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium?
4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium has a molecular weight of 316.47 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-methyl-2-(2-methylphenyl)quinolin-1-ium is sourced from PubChem (CID 153466956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).