7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

C17H16FN3O3S — CID 3069133

IUPAC7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESCc1csc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n12
InChIInChI=1S/C17H16FN3O3S/c1-9-8-25-16-14(17(23)24)15(22)10-6-11(18)13(7-12(10)21(9)16)20-4-2-19-3-5-20/h6-8,19H,2-5H2,1H3,(H,23,24)
InChIKeyLEKKRFMWERADOZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.07
Rot. Bonds2

About 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (PubChem CID 3069133) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
PubChem CID3069133
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESCc1csc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n12
InChIInChI=1S/C17H16FN3O3S/c1-9-8-25-16-14(17(23)24)15(22)10-6-11(18)13(7-12(10)21(9)16)20-4-2-19-3-5-20/h6-8,19H,2-5H2,1H3,(H,23,24)
InChIKeyLEKKRFMWERADOZ-UHFFFAOYSA-N
XLogP2.07
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (CID 3069133) is 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is Cc1csc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n12.
What is the InChIKey of 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The InChIKey is LEKKRFMWERADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-9-8-25-16-14(17(23)24)15(22)10-6-11(18)13(7-12(10)21(9)16)20-4-2-19-3-5-20/h6-8,19H,2-5H2,1H3,(H,23,24).
What are the key properties of 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 3069133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).