2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline

C24H24F3N — CID 169302086

IUPAC2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline
SMILESCc1cc(C)cc(-c2ccc3c(C4CCCC4CC(F)(F)F)cccc3n2)c1
InChIInChI=1S/C24H24F3N/c1-15-11-16(2)13-18(12-15)22-10-9-21-20(7-4-8-23(21)28-22)19-6-3-5-17(19)14-24(25,26)27/h4,7-13,17,19H,3,5-6,14H2,1-2H3
InChIKeyYWLAGUNFOJPTBK-UHFFFAOYSA-N
MW383.46 g/mol
LogP7.35
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline

2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline (PubChem CID 169302086) has the molecular formula C24H24F3N and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline
PubChem CID169302086
Molecular FormulaC24H24F3N
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline
SMILESCc1cc(C)cc(-c2ccc3c(C4CCCC4CC(F)(F)F)cccc3n2)c1
InChIInChI=1S/C24H24F3N/c1-15-11-16(2)13-18(12-15)22-10-9-21-20(7-4-8-23(21)28-22)19-6-3-5-17(19)14-24(25,26)27/h4,7-13,17,19H,3,5-6,14H2,1-2H3
InChIKeyYWLAGUNFOJPTBK-UHFFFAOYSA-N
XLogP7.35
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 ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-5-(4-propylcyclohexyl)quinoline
CID 156654942
5-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)quinoline
CID 138464224
2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
CID 121266831
5-[3-(difluoromethyl)-2,4,4,4-tetrafluorobutyl]-2-(3,5-dimethylphenyl)quinoline
CID 175323095
5-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464216
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
CID 154960050
2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
CID 157453660
2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline
CID 140607979
4-cyclopentyl-2-(3-methylphenyl)quinoline
CID 138464462
4-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)-6-methylquinoline
CID 167260845
4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
CID 156655138

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline (CID 169302086) is 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline is Cc1cc(C)cc(-c2ccc3c(C4CCCC4CC(F)(F)F)cccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline?
The InChIKey is YWLAGUNFOJPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N/c1-15-11-16(2)13-18(12-15)22-10-9-21-20(7-4-8-23(21)28-22)19-6-3-5-17(19)14-24(25,26)27/h4,7-13,17,19H,3,5-6,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline?
2-(3,5-dimethylphenyl)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline has a molecular weight of 383.46 g/mol, XLogP of 7.35, 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)-5-[2-(2,2,2-trifluoroethyl)cyclopentyl]quinoline is sourced from PubChem (CID 169302086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).