4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline

C17H12F3N — CID 59274673

IUPAC4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C17H12F3N/c1-11-10-16(21-15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(18,19)20/h2-10H,1H3
InChIKeyCXOCSORWAOWHAG-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.23
Rot. Bonds1

About 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline

4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline (PubChem CID 59274673) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
PubChem CID59274673
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12
InChIInChI=1S/C17H12F3N/c1-11-10-16(21-15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(18,19)20/h2-10H,1H3
InChIKeyCXOCSORWAOWHAG-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-iodophenyl)-4-methylquinoline
CID 8966469
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
6-(2,6-dichlorophenoxy)-4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 175921285
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
4-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline;hydrochloride
CID 42887250
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
4-methyl-2-phenyl-1,7-naphthyridine
CID 71032237
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline (CID 59274673) is 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline is Cc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
The InChIKey is CXOCSORWAOWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c1-11-10-16(21-15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(18,19)20/h2-10H,1H3.
What are the key properties of 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline?
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline has a molecular weight of 287.28 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 59274673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).