6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid

C11H7F2NO3 — CID 10776368

IUPAC6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C11H7F2NO3/c1-14-4-6(11(16)17)10(15)5-2-7(12)8(13)3-9(5)14/h2-4H,1H3,(H,16,17)
InChIKeyDHJRWNMTTJCQGO-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.51
Rot. Bonds1

About 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid

6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 10776368) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID10776368
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C11H7F2NO3/c1-14-4-6(11(16)17)10(15)5-2-7(12)8(13)3-9(5)14/h2-4H,1H3,(H,16,17)
InChIKeyDHJRWNMTTJCQGO-UHFFFAOYSA-N
XLogP1.51
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-7-hydroxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 141420333
6,7-difluoro-1-(2-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
CID 139655183
6-chloro-1-methyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 66487885
6,7-difluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771935
6-(dimethylamino)-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244225
1-methyl-4-oxo-6-(trifluoromethoxy)quinoline-3-carboxylic acid
CID 82250058
6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 118596050
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 70457288
7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 15675271
7-(azepan-1-yl)-8-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 25124186
7-bromo-6-fluoro-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
CID 145086346
7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 70388176

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 10776368) is 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is DHJRWNMTTJCQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c1-14-4-6(11(16)17)10(15)5-2-7(12)8(13)3-9(5)14/h2-4H,1H3,(H,16,17).
What are the key properties of 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid?
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10776368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).