7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

C17H16FN3O3S — CID 3069131

IUPAC7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sccn23)CC1
InChIInChI=1S/C17H16FN3O3S/c1-19-2-4-20(5-3-19)13-9-12-10(8-11(13)18)15(22)14(17(23)24)16-21(12)6-7-25-16/h6-9H,2-5H2,1H3,(H,23,24)
InChIKeyPWWGCHOOEGIWEM-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.10
Rot. Bonds2

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

7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (PubChem CID 3069131) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
PubChem CID3069131
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sccn23)CC1
InChIInChI=1S/C17H16FN3O3S/c1-19-2-4-20(5-3-19)13-9-12-10(8-11(13)18)15(22)14(17(23)24)16-21(12)6-7-25-16/h6-9H,2-5H2,1H3,(H,23,24)
InChIKeyPWWGCHOOEGIWEM-UHFFFAOYSA-N
XLogP2.10
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (CID 3069131) is 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sccn23)CC1.
What is the InChIKey of 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The InChIKey is PWWGCHOOEGIWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-19-2-4-20(5-3-19)13-9-12-10(8-11(13)18)15(22)14(17(23)24)16-21(12)6-7-25-16/h6-9H,2-5H2,1H3,(H,23,24).
What are the key properties of 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 3069131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).