2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one

C16H10F3NO2 — CID 169257027

IUPAC2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2OC(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)22-15-8-4-2-6-11(15)13-9-14(21)10-5-1-3-7-12(10)20-13/h1-9H,(H,20,21)
InChIKeyPAJLZYBSWUQJIO-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.09
Rot. Bonds2

About 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one

2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one (PubChem CID 169257027) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
PubChem CID169257027
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
SMILESO=c1cc(-c2ccccc2OC(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)22-15-8-4-2-6-11(15)13-9-14(21)10-5-1-3-7-12(10)20-13/h1-9H,(H,20,21)
InChIKeyPAJLZYBSWUQJIO-UHFFFAOYSA-N
XLogP4.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one
CID 170408677
2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one
CID 169256905
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2,6-dimethyl-3-[4-oxo-6-[2-(trifluoromethoxy)phenyl]-1H-pyridin-3-yl]-1H-pyridin-4-one
CID 69347693
5-amino-6-[2-(trifluoromethoxy)phenyl]-1,3-dihydrobenzimidazol-2-one
CID 16768729
2-(5-tert-butyl-2-methylphenyl)-1H-quinolin-4-one
CID 169256966
6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091442
2-(4-tert-butyl-2-ethylphenyl)-1H-quinolin-4-one
CID 169256836
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091598
2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one
CID 135152679
6-[2-(trifluoromethoxy)phenyl]-1H-pyrimidine-2-thione
CID 106514791

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one (CID 169257027) is 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one is O=c1cc(-c2ccccc2OC(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
The InChIKey is PAJLZYBSWUQJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)22-15-8-4-2-6-11(15)13-9-14(21)10-5-1-3-7-12(10)20-13/h1-9H,(H,20,21).
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one?
2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one has a molecular weight of 305.26 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 169257027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).