2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline

C26H31N — CID 156654942

IUPAC2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline
SMILESCCCC1CCC(c2cccc3nc(-c4cc(C)cc(C)c4)ccc23)CC1
InChIInChI=1S/C26H31N/c1-4-6-20-9-11-21(12-10-20)23-7-5-8-26-24(23)13-14-25(27-26)22-16-18(2)15-19(3)17-22/h5,7-8,13-17,20-21H,4,6,9-12H2,1-3H3
InChIKeyLROCQMXKPSDIPF-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.59
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline

2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline (PubChem CID 156654942) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline
PubChem CID156654942
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Name2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline
SMILESCCCC1CCC(c2cccc3nc(-c4cc(C)cc(C)c4)ccc23)CC1
InChIInChI=1S/C26H31N/c1-4-6-20-9-11-21(12-10-20)23-7-5-8-26-24(23)13-14-25(27-26)22-16-18(2)15-19(3)17-22/h5,7-8,13-17,20-21H,4,6,9-12H2,1-3H3
InChIKeyLROCQMXKPSDIPF-UHFFFAOYSA-N
XLogP7.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464216
5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
CID 138464224
2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline
CID 169302086
2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
CID 157453660
2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
CID 121266831
5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
CID 154960050
4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
2-bromo-6-(4-propylcyclohexyl)phenol
CID 162716944
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
5-cyclobutyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cycloheptyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclohexyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;5-cyclopentyl-2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium)
CID 158485270
[2-(3,5-dimethylphenyl)quinolin-7-yl]-triethylgermane
CID 140592731
2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
CID 134353176

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline (CID 156654942) is 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline is CCCC1CCC(c2cccc3nc(-c4cc(C)cc(C)c4)ccc23)CC1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline?
The InChIKey is LROCQMXKPSDIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-4-6-20-9-11-21(12-10-20)23-7-5-8-26-24(23)13-14-25(27-26)22-16-18(2)15-19(3)17-22/h5,7-8,13-17,20-21H,4,6,9-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline?
2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline has a molecular weight of 357.54 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline is sourced from PubChem (CID 156654942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).