[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone

C16H8F4N2O — CID 125474347

IUPAC[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(C(F)(F)F)nc2ccc(F)cc12
InChIInChI=1S/C16H8F4N2O/c17-9-4-5-12-10(7-9)11(8-14(22-12)16(18,19)20)15(23)13-3-1-2-6-21-13/h1-8H
InChIKeyWIZKTIOLENIRNS-UHFFFAOYSA-N
MW320.25 g/mol
LogP4.02
Rot. Bonds2

About [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone

[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone (PubChem CID 125474347) has the molecular formula C16H8F4N2O and a molecular weight of 320.25 g/mol. Its IUPAC name is [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone
PubChem CID125474347
Molecular FormulaC16H8F4N2O
Molecular Weight320.25 g/mol
Exact Mass320.06
IUPAC Name[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cc(C(F)(F)F)nc2ccc(F)cc12
InChIInChI=1S/C16H8F4N2O/c17-9-4-5-12-10(7-9)11(8-14(22-12)16(18,19)20)15(23)13-3-1-2-6-21-13/h1-8H
InChIKeyWIZKTIOLENIRNS-UHFFFAOYSA-N
XLogP4.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone 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

6-fluoro-2-methyl-N'-(pyridine-2-carbonyl)quinoline-4-carbohydrazide
CID 4732352
(2,6-dichloroquinolin-4-yl)-pyridin-2-ylmethanone
CID 125473502
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
pyridin-2-yl-[7-(trifluoromethyl)quinolin-4-yl]methanone
CID 125474108
4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline
CID 130246716
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
methyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate
CID 125494080
[5-nitro-2-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118830643
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
CID 165460462
CID 173156131
CID 173156131
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone;methane;molecular hydrogen;hydrochloride
CID 161281228
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone?
The IUPAC name of [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone (CID 125474347) is [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cc(C(F)(F)F)nc2ccc(F)cc12.
What is the InChIKey of [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone?
The InChIKey is WIZKTIOLENIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F4N2O/c17-9-4-5-12-10(7-9)11(8-14(22-12)16(18,19)20)15(23)13-3-1-2-6-21-13/h1-8H.
What are the key properties of [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone?
[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone has a molecular weight of 320.25 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 125474347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).