6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

C11H7F2NO3 — CID 11806724

IUPAC6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1c(F)c(F)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H7F2NO3/c1-4-8(13)7(12)2-5-9(4)14-3-6(10(5)15)11(16)17/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKeyQFIIZFACMKBIKQ-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.81
Rot. Bonds1

About 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid

6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 11806724) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID11806724
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1c(F)c(F)cc2c(=O)c(C(=O)O)c[nH]c12
InChIInChI=1S/C11H7F2NO3/c1-4-8(13)7(12)2-5-9(4)14-3-6(10(5)15)11(16)17/h2-3H,1H3,(H,14,15)(H,16,17)
InChIKeyQFIIZFACMKBIKQ-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid (CID 11806724) is 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is Cc1c(F)c(F)cc2c(=O)c(C(=O)O)c[nH]c12.
What is the InChIKey of 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is QFIIZFACMKBIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c1-4-8(13)7(12)2-5-9(4)14-3-6(10(5)15)11(16)17/h2-3H,1H3,(H,14,15)(H,16,17).
What are the key properties of 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid?
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 11806724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).