2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one

C15H9F3N2O2 — CID 169256905

IUPAC2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)8-5-10(14(22)19-7-8)12-6-13(21)9-3-1-2-4-11(9)20-12/h1-7H,(H,19,22)(H,20,21)
InChIKeyAXIMPLXUNYYUPG-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.90
Rot. Bonds1

About 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one

2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one (PubChem CID 169256905) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one
PubChem CID169256905
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one
SMILESO=c1[nH]cc(C(F)(F)F)cc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)8-5-10(14(22)19-7-8)12-6-13(21)9-3-1-2-4-11(9)20-12/h1-7H,(H,19,22)(H,20,21)
InChIKeyAXIMPLXUNYYUPG-UHFFFAOYSA-N
XLogP2.90
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(trifluoromethoxy)phenyl]-1H-quinolin-4-one
CID 169257027
2-(5-tert-butyl-2-methylphenyl)-1H-quinolin-4-one
CID 169256966
5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133092027
3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 46312797
2-(4-tert-butyl-2-ethylphenyl)-1H-quinolin-4-one
CID 169256836
2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one
CID 169249509
2-(4-chloro-2-methoxyphenyl)-1H-quinolin-4-one
CID 170408677
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 171547710
7-fluoro-2-(2-fluorophenyl)-1H-quinolin-4-one
CID 123702147
2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one
CID 135152679
2-[3-[[4-(trifluoromethyl)thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one
CID 91800833
2-(2-chloro-4-pyridinyl)-1H-quinolin-4-one
CID 77230218

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one (CID 169256905) is 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one is O=c1[nH]cc(C(F)(F)F)cc1-c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one?
The InChIKey is AXIMPLXUNYYUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)8-5-10(14(22)19-7-8)12-6-13(21)9-3-1-2-4-11(9)20-12/h1-7H,(H,19,22)(H,20,21).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one?
2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one has a molecular weight of 306.24 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1H-quinolin-4-one is sourced from PubChem (CID 169256905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).