2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline

C18H14F3N — CID 162418925

IUPAC2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline
SMILESCCc1nc2ccccc2c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C18H14F3N/c1-2-14-16(12-8-4-3-5-9-12)17(18(19,20)21)13-10-6-7-11-15(13)22-14/h3-11H,2H2,1H3
InChIKeyUVOJNZYMWVOGLE-UHFFFAOYSA-N
MW301.31 g/mol
LogP5.48
Rot. Bonds2

About 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline

2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline (PubChem CID 162418925) has the molecular formula C18H14F3N and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline
PubChem CID162418925
Molecular FormulaC18H14F3N
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline
SMILESCCc1nc2ccccc2c(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C18H14F3N/c1-2-14-16(12-8-4-3-5-9-12)17(18(19,20)21)13-10-6-7-11-15(13)22-14/h3-11H,2H2,1H3
InChIKeyUVOJNZYMWVOGLE-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

22-ethyl-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 129303440
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene
CID 177484765
2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
CID 15125346
2-ethyl-6-methyl-3,4,5-triphenylpyridine
CID 67766803
4-ethylquinazolin-2-amine
CID 10352174
(1S)-1-[2-phenyl-4-(trifluoromethyl)quinolin-3-yl]ethanol
CID 91447505
2-ethyl-3-naphthalen-2-ylquinolin-4-amine
CID 174282639
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
6-chloro-2-ethyl-3-methyl-4-phenylquinoline
CID 71419956
2-benzyl-3,4-diphenylquinoline;dihydrochloride
CID 175553096
4-ethyl-6-methyl-5-phenylpyrimidin-2-amine
CID 58387688

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline?
The IUPAC name of 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline (CID 162418925) is 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline?
The canonical SMILES for 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline is CCc1nc2ccccc2c(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline?
The InChIKey is UVOJNZYMWVOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N/c1-2-14-16(12-8-4-3-5-9-12)17(18(19,20)21)13-10-6-7-11-15(13)22-14/h3-11H,2H2,1H3.
What are the key properties of 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline?
2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline has a molecular weight of 301.31 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenyl-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 162418925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).