3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one

C17H12F3NO2 — CID 68784723

IUPAC3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one
SMILESCc1c(Cc2ccc(F)cc2F)c(=O)[nH]c2c(F)ccc(O)c12
InChIInChI=1S/C17H12F3NO2/c1-8-11(6-9-2-3-10(18)7-13(9)20)17(23)21-16-12(19)4-5-14(22)15(8)16/h2-5,7,22H,6H2,1H3,(H,21,23)
InChIKeyQBQKZFLZABRWKB-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.55
Rot. Bonds2

About 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one

3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one (PubChem CID 68784723) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one
PubChem CID68784723
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one
SMILESCc1c(Cc2ccc(F)cc2F)c(=O)[nH]c2c(F)ccc(O)c12
InChIInChI=1S/C17H12F3NO2/c1-8-11(6-9-2-3-10(18)7-13(9)20)17(23)21-16-12(19)4-5-14(22)15(8)16/h2-5,7,22H,6H2,1H3,(H,21,23)
InChIKeyQBQKZFLZABRWKB-UHFFFAOYSA-N
XLogP3.55
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate
CID 68781661
5-ethyl-8-fluoro-3-hydroxy-1H-quinolin-2-one
CID 68636296
5-[(2,4-difluorophenyl)methyl]-6-(4-methylcyclohexyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 163462977
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573
3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-5-hydroxy-4,7-dimethyl-1H-quinolin-2-one
CID 68605374
4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
CID 90396848
4-[(2,5-difluorophenyl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one
CID 8870748
3-(2,4-difluorophenyl)-N'-methylpropanehydrazide
CID 116846361
3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one
CID 70681081
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one (CID 68784723) is 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one is Cc1c(Cc2ccc(F)cc2F)c(=O)[nH]c2c(F)ccc(O)c12.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one?
The InChIKey is QBQKZFLZABRWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-8-11(6-9-2-3-10(18)7-13(9)20)17(23)21-16-12(19)4-5-14(22)15(8)16/h2-5,7,22H,6H2,1H3,(H,21,23).
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one?
3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one has a molecular weight of 319.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 68784723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).