4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid

C10H4FN3O4S — CID 137346140

IUPAC4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2c3c(c(F)cc2c1=O)=NS(=O)N=3
InChIInChI=1S/C10H4FN3O4S/c11-5-1-3-6(8-7(5)13-19(18)14-8)12-2-4(9(3)15)10(16)17/h1-2H,(H,12,15)(H,16,17)
InChIKeyGVKHMOHJXOVOPY-UHFFFAOYSA-N
MW281.22 g/mol
LogP-0.80
Rot. Bonds1

About 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid

4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid (PubChem CID 137346140) has the molecular formula C10H4FN3O4S and a molecular weight of 281.22 g/mol. Its IUPAC name is 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid
PubChem CID137346140
Molecular FormulaC10H4FN3O4S
Molecular Weight281.22 g/mol
Exact Mass280.99
IUPAC Name4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2c3c(c(F)cc2c1=O)=NS(=O)N=3
InChIInChI=1S/C10H4FN3O4S/c11-5-1-3-6(8-7(5)13-19(18)14-8)12-2-4(9(3)15)10(16)17/h1-2H,(H,12,15)(H,16,17)
InChIKeyGVKHMOHJXOVOPY-UHFFFAOYSA-N
XLogP-0.80
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid with MolForge

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Related Compounds

6,7-difluoro-8-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 14455621
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
6,7-difluoro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 11806724
8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941662
7-chloro-6-fluoro-4-oxo-8-sulfo-1H-quinoline-3-carboxylic acid
CID 11141790
7-chloro-6-fluoro-8-[(4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 69129184
CID 87579220
CID 87579220
3-acetyl-6,7,8-trifluoro-1H-quinolin-4-one
CID 59457959
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 143430661
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
7-[2-(aminomethyl)-1,3-thiazol-4-yl]-8-ethyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 70515881

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid?
The IUPAC name of 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid (CID 137346140) is 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid?
The canonical SMILES for 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid is O=C(O)c1c[nH]c2c3c(c(F)cc2c1=O)=NS(=O)N=3.
What is the InChIKey of 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid?
The InChIKey is GVKHMOHJXOVOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4FN3O4S/c11-5-1-3-6(8-7(5)13-19(18)14-8)12-2-4(9(3)15)10(16)17/h1-2H,(H,12,15)(H,16,17).
What are the key properties of 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid?
4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid has a molecular weight of 281.22 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dioxo-9H-[1,2,5]thiadiazolo[3,4-h]quinoline-7-carboxylic acid is sourced from PubChem (CID 137346140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).