2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline

C17H11F4NO — CID 156781535

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
SMILESCOc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C17H11F4NO/c1-23-16-9-15(22-14-5-3-2-4-11(14)16)10-6-7-13(18)12(8-10)17(19,20)21/h2-9H,1H3
InChIKeyHBPQAHJVHLBIQM-UHFFFAOYSA-N
MW321.27 g/mol
LogP5.07
Rot. Bonds2

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline

2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline (PubChem CID 156781535) has the molecular formula C17H11F4NO and a molecular weight of 321.27 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
PubChem CID156781535
Molecular FormulaC17H11F4NO
Molecular Weight321.27 g/mol
Exact Mass321.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
SMILESCOc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C17H11F4NO/c1-23-16-9-15(22-14-5-3-2-4-11(14)16)10-6-7-13(18)12(8-10)17(19,20)21/h2-9H,1H3
InChIKeyHBPQAHJVHLBIQM-UHFFFAOYSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.27
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322
4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
CID 20711982
2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
CID 90459307
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689
4-methoxy-2-(4-propoxyphenyl)quinoline
CID 53466443
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 107290420
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
2-[2-(2-fluorophenyl)ethyl]-4-methoxyquinoline
CID 142134657
(1S)-1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]ethanol
CID 126447982
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline (CID 156781535) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline is COc1cc(-c2ccc(F)c(C(F)(F)F)c2)nc2ccccc12.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline?
The InChIKey is HBPQAHJVHLBIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO/c1-23-16-9-15(22-14-5-3-2-4-11(14)16)10-6-7-13(18)12(8-10)17(19,20)21/h2-9H,1H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline has a molecular weight of 321.27 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline is sourced from PubChem (CID 156781535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).