4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline

C17H14F3N — CID 90978390

IUPAC4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline
SMILESCC1(C(F)(F)F)CC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C17H14F3N/c1-16(17(18,19)20)11-15(12-7-3-2-4-8-12)21-14-10-6-5-9-13(14)16/h2-10H,11H2,1H3
InChIKeyANPUYZWYROJQDB-UHFFFAOYSA-N
MW289.30 g/mol
LogP5.03
Rot. Bonds1

About 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline

4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline (PubChem CID 90978390) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline.

Molecular Properties

Compound Name4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline
PubChem CID90978390
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline
SMILESCC1(C(F)(F)F)CC(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C17H14F3N/c1-16(17(18,19)20)11-15(12-7-3-2-4-8-12)21-14-10-6-5-9-13(14)16/h2-10H,11H2,1H3
InChIKeyANPUYZWYROJQDB-UHFFFAOYSA-N
XLogP5.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.30
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
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CID 102087033
benzene;ethane;2-phenyl-3H-indole
CID 91573421
2-phenyl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
CID 690692
3,3-dimethyl-2-phenylindole;ethane
CID 90996712
4,4-dimethyl-2,6-diphenyl-3H-pyridine
CID 58339609
2-phenyl-4-(trichloromethyl)-3H-1,5-benzodiazepine
CID 139206499
6-tert-butyl-2-phenyl-3H-indole
CID 118318358
(3aS,6aS)-3a,6a-dimethyl-2,5-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrole
CID 134916558
3,3-dimethyl-2-phenyl-4H-quinoline
CID 58982953
(4R)-4-(bromomethyl)-4-methyl-2-phenyl-3,1-benzoxazine
CID 102454729
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-3H-1,5-benzodiazepine
CID 15352261

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline?
The IUPAC name of 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline (CID 90978390) is 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline.
What is the SMILES notation for 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline?
The canonical SMILES for 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline is CC1(C(F)(F)F)CC(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline?
The InChIKey is ANPUYZWYROJQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N/c1-16(17(18,19)20)11-15(12-7-3-2-4-8-12)21-14-10-6-5-9-13(14)16/h2-10H,11H2,1H3.
What are the key properties of 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline?
4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline has a molecular weight of 289.30 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline is sourced from PubChem (CID 90978390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).