6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid

C16H8F3NO3 — CID 19090505

IUPAC6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)c(F)cc2n1-c1ccccc1F
InChIInChI=1S/C16H8F3NO3/c17-9-3-1-2-4-12(9)20-13-6-11(19)10(18)5-8(13)15(21)7-14(20)16(22)23/h1-7H,(H,22,23)
InChIKeyVJHWZPKGJRQEFC-UHFFFAOYSA-N
MW319.24 g/mol
LogP3.11
Rot. Bonds2

About 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid

6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid (PubChem CID 19090505) has the molecular formula C16H8F3NO3 and a molecular weight of 319.24 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid
PubChem CID19090505
Molecular FormulaC16H8F3NO3
Molecular Weight319.24 g/mol
Exact Mass319.05
IUPAC Name6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(F)c(F)cc2n1-c1ccccc1F
InChIInChI=1S/C16H8F3NO3/c17-9-3-1-2-4-12(9)20-13-6-11(19)10(18)5-8(13)15(21)7-14(20)16(22)23/h1-7H,(H,22,23)
InChIKeyVJHWZPKGJRQEFC-UHFFFAOYSA-N
XLogP3.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82244422
1-(2-fluorophenyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82376265
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246534
3-cyano-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 82390743
2-acetyl-7-chloro-1-phenylquinolin-4-one
CID 142701712
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 4154748
sodium;1-ethyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-2-carboxylic acid;hydride
CID 173371437
1-methyl-4-oxo-6-phenoxyquinoline-2-carboxylic acid
CID 82251488
3-(bromomethyl)-2-(2-fluorophenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 67492733
8-fluoro-2-(2-fluorophenyl)-3-methyl-1-oxoisoquinoline-4-carboxylic acid
CID 67492772

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid (CID 19090505) is 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(F)c(F)cc2n1-c1ccccc1F.
What is the InChIKey of 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid?
The InChIKey is VJHWZPKGJRQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3NO3/c17-9-3-1-2-4-12(9)20-13-6-11(19)10(18)5-8(13)15(21)7-14(20)16(22)23/h1-7H,(H,22,23).
What are the key properties of 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid?
6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid has a molecular weight of 319.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-fluorophenyl)-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 19090505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).