1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid

C17H9F4NO4 — CID 54726157

IUPAC1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(F)c(F)cc2c1c(=O)c(O)c(C(=O)O)n2-c1ccc(F)cc1F
InChIInChI=1S/C17H9F4NO4/c1-6-12-11(5-9(20)13(6)21)22(10-3-2-7(18)4-8(10)19)14(17(25)26)16(24)15(12)23/h2-5,24H,1H3,(H,25,26)
InChIKeyLANYGOUAAUADCS-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.26
Rot. Bonds2

About 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid

1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 54726157) has the molecular formula C17H9F4NO4 and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID54726157
Molecular FormulaC17H9F4NO4
Molecular Weight367.25 g/mol
Exact Mass367.05
IUPAC Name1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(F)c(F)cc2c1c(=O)c(O)c(C(=O)O)n2-c1ccc(F)cc1F
InChIInChI=1S/C17H9F4NO4/c1-6-12-11(5-9(20)13(6)21)22(10-3-2-7(18)4-8(10)19)14(17(25)26)16(24)15(12)23/h2-5,24H,1H3,(H,25,26)
InChIKeyLANYGOUAAUADCS-UHFFFAOYSA-N
XLogP3.26
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(5-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)-4-oxoquinoline-3-carboxylic acid
CID 19024491
1-(2,4-difluorophenyl)-7-[3-[1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 19046050
2-[3-(2-aminoethyl)-3-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 23126668
1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxoquinoline-3-carboxylic acid
CID 5061933
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494
1-(2,4-difluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 14774110
4-chloro-1-(2,4-difluorophenyl)-3-ethylpyrazole-5-carboxylic acid
CID 24729049
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol
CID 54067064
1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250430
6,7-difluoro-5-methyl-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 19939858
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid (CID 54726157) is 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid is Cc1c(F)c(F)cc2c1c(=O)c(O)c(C(=O)O)n2-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is LANYGOUAAUADCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F4NO4/c1-6-12-11(5-9(20)13(6)21)22(10-3-2-7(18)4-8(10)19)14(17(25)26)16(24)15(12)23/h2-5,24H,1H3,(H,25,26).
What are the key properties of 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid?
1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 367.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-6,7-difluoro-3-hydroxy-5-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 54726157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).