2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline

C24H24F3N — CID 167260902

IUPAC2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(CC4(C(F)(F)F)CCCC4)cc3n2)c1
InChIInChI=1S/C24H24F3N/c1-16-11-17(2)13-20(12-16)21-8-7-19-6-5-18(14-22(19)28-21)15-23(24(25,26)27)9-3-4-10-23/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyNIMXQIQFNRUUKV-UHFFFAOYSA-N
MW383.46 g/mol
LogP7.18
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline

2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline (PubChem CID 167260902) has the molecular formula C24H24F3N and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline
PubChem CID167260902
Molecular FormulaC24H24F3N
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(CC4(C(F)(F)F)CCCC4)cc3n2)c1
InChIInChI=1S/C24H24F3N/c1-16-11-17(2)13-20(12-16)21-8-7-19-6-5-18(14-22(19)28-21)15-23(24(25,26)27)9-3-4-10-23/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyNIMXQIQFNRUUKV-UHFFFAOYSA-N
XLogP7.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-(3,5-dimethylphenyl)quinolin-7-yl]methyl]cyclopentane-1-carbonitrile
CID 167260709
2-(3,5-dimethylphenyl)-7-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]quinoline
CID 121437208
3-[2-(3,5-dimethylphenyl)quinolin-7-yl]-2,2-dimethylpropanenitrile
CID 167260893
2-(3,5-dimethylphenyl)-7-fluoroquinoline
CID 59288826
2-(3,5-dimethylphenyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)quinoline
CID 138464235
7-tert-butyl-2-(3,5-dimethylphenyl)quinoline
CID 159604387
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
2-(3,5-dimethylphenyl)-6,7-diethylquinoline
CID 140607988
2-(3,5-dimethylphenyl)-7-pyrrol-1-ylquinoline
CID 59288750
[2-(3,5-dimethylphenyl)quinolin-7-yl]-triethylgermane
CID 140592731
3-(3,5-dimethylphenyl)-11,11,12,12-tetrakis(trifluoromethyl)-4-azatricyclo[7.4.1.05,14]tetradeca-1,3,5,7,9(14)-pentaene
CID 155322046

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline (CID 167260902) is 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline is Cc1cc(C)cc(-c2ccc3ccc(CC4(C(F)(F)F)CCCC4)cc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline?
The InChIKey is NIMXQIQFNRUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N/c1-16-11-17(2)13-20(12-16)21-8-7-19-6-5-18(14-22(19)28-21)15-23(24(25,26)27)9-3-4-10-23/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline?
2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline has a molecular weight of 383.46 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-7-[[1-(trifluoromethyl)cyclopentyl]methyl]quinoline is sourced from PubChem (CID 167260902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).