6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid

C16H8F3NO4 — CID 70457288

IUPAC6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(O)cc2F)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C16H8F3NO4/c17-10-4-8-14(5-11(10)18)20(6-9(15(8)22)16(23)24)13-2-1-7(21)3-12(13)19/h1-6,21H,(H,23,24)
InChIKeyUKFLTUVSLMHZTJ-UHFFFAOYSA-N
MW335.24 g/mol
LogP2.81
Rot. Bonds2

About 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid

6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 70457288) has the molecular formula C16H8F3NO4 and a molecular weight of 335.24 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID70457288
Molecular FormulaC16H8F3NO4
Molecular Weight335.24 g/mol
Exact Mass335.04
IUPAC Name6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(O)cc2F)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C16H8F3NO4/c17-10-4-8-14(5-11(10)18)20(6-9(15(8)22)16(23)24)13-2-1-7(21)3-12(13)19/h1-6,21H,(H,23,24)
InChIKeyUKFLTUVSLMHZTJ-UHFFFAOYSA-N
XLogP2.81
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-7-(1,3-dihydroisoindol-2-yl)-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 167509393
1-(2,4-difluorophenyl)-6-fluoro-7-methyl-4-oxoquinoline-3-carboxylic acid
CID 5061933
6-fluoro-1-[2-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 15712690
1-(4-amino-2-fluorophenyl)-6-fluoro-7-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 5270917
6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 15712696
6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 5270922
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
7-(3-aminoprop-1-en-2-yl)-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 14883375
7-chloro-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10546084
6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid
CID 19090517
1-(2,4-difluorophenyl)-6-fluoro-7-[(3R)-3-[(1R)-1-(methylamino)ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 54251230
7-[(3R,4R)-3-(aminomethyl)-4-chloropyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70415530

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid (CID 70457288) is 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(-c2ccc(O)cc2F)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is UKFLTUVSLMHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3NO4/c17-10-4-8-14(5-11(10)18)20(6-9(15(8)22)16(23)24)13-2-1-7(21)3-12(13)19/h1-6,21H,(H,23,24).
What are the key properties of 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid?
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 335.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 70457288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).