6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid

C12H11F2NO3 — CID 53276054

IUPAC6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid
SMILESCN1C(=O)CC(C)(C(=O)O)c2cc(F)cc(F)c21
InChIInChI=1S/C12H11F2NO3/c1-12(11(17)18)5-9(16)15(2)10-7(12)3-6(13)4-8(10)14/h3-4H,5H2,1-2H3,(H,17,18)
InChIKeyMNOBEFQMAGUHHD-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.67
Rot. Bonds1

About 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid

6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid (PubChem CID 53276054) has the molecular formula C12H11F2NO3 and a molecular weight of 255.22 g/mol. Its IUPAC name is 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid
PubChem CID53276054
Molecular FormulaC12H11F2NO3
Molecular Weight255.22 g/mol
Exact Mass255.07
IUPAC Name6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid
SMILESCN1C(=O)CC(C)(C(=O)O)c2cc(F)cc(F)c21
InChIInChI=1S/C12H11F2NO3/c1-12(11(17)18)5-9(16)15(2)10-7(12)3-6(13)4-8(10)14/h3-4H,5H2,1-2H3,(H,17,18)
InChIKeyMNOBEFQMAGUHHD-UHFFFAOYSA-N
XLogP1.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid?
The IUPAC name of 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid (CID 53276054) is 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid?
The canonical SMILES for 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid is CN1C(=O)CC(C)(C(=O)O)c2cc(F)cc(F)c21.
What is the InChIKey of 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid?
The InChIKey is MNOBEFQMAGUHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3/c1-12(11(17)18)5-9(16)15(2)10-7(12)3-6(13)4-8(10)14/h3-4H,5H2,1-2H3,(H,17,18).
What are the key properties of 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid?
6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid has a molecular weight of 255.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1,4-dimethyl-2-oxo-3H-quinoline-4-carboxylic acid is sourced from PubChem (CID 53276054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).