7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

C18H17FN2O5S — CID 86574694

IUPAC7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
SMILESO=C(O)c1c2n(c3cc(N4CCC5(CC4)OCCO5)c(F)cc3c1=O)CS2
InChIInChI=1S/C18H17FN2O5S/c19-11-7-10-12(21-9-27-16(21)14(15(10)22)17(23)24)8-13(11)20-3-1-18(2-4-20)25-5-6-26-18/h7-8H,1-6,9H2,(H,23,24)
InChIKeySXGYKRRHLVTEGS-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.25
Rot. Bonds2

About 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid

7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (PubChem CID 86574694) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
PubChem CID86574694
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC Name7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
SMILESO=C(O)c1c2n(c3cc(N4CCC5(CC4)OCCO5)c(F)cc3c1=O)CS2
InChIInChI=1S/C18H17FN2O5S/c19-11-7-10-12(21-9-27-16(21)14(15(10)22)17(23)24)8-13(11)20-3-1-18(2-4-20)25-5-6-26-18/h7-8H,1-6,9H2,(H,23,24)
InChIKeySXGYKRRHLVTEGS-UHFFFAOYSA-N
XLogP2.25
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Prulifloxacin
CID 65947
Ulifloxacin
CID 124225
6-Fluoro-1-hexyl-4-oxo-7-(piperidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
CID 1900647
N-((4-Methyl-5-methylene-2-oxo-1,3-dioxolan-4-yl)oxy)norfloxacin
CID 197267
N-((5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl)norfloxacin
CID 3069791
Ethyl 1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylate
CID 660000
2-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a]quinoline-6-carboxylic acid
CID 44451030
5H-Thiazolo(3,2-a)quinoline-4-carboxylic acid, 7-fluoro-8-(4-methyl-1-piperazinyl)-5-oxo-
CID 3069131
5H-Thiazolo(3,2-a)quinoline-4-carboxylic acid, 7-fluoro-5-oxo-8-(4-(2-propenyl)-1-piperazinyl)-
CID 3069132
5H-Thiazolo(3,2-a)quinoline-4-carboxylic acid, 7-fluoro-1-methyl-8-(4-methyl-1-piperazinyl)-5-oxo-
CID 3069134
1-Ethyl-6-fluoro-4-oxo-7-thiomorpholino-quinoline-3-carboxylic acid
CID 461444
1-Cyclopropyl-6-fluoro-7-(4-morpholinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
CID 479049

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
The IUPAC name of 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid (CID 86574694) is 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
The canonical SMILES for 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid is O=C(O)c1c2n(c3cc(N4CCC5(CC4)OCCO5)c(F)cc3c1=O)CS2.
What is the InChIKey of 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
The InChIKey is SXGYKRRHLVTEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c19-11-7-10-12(21-9-27-16(21)14(15(10)22)17(23)24)8-13(11)20-3-1-18(2-4-20)25-5-6-26-18/h7-8H,1-6,9H2,(H,23,24).
What are the key properties of 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid?
7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid has a molecular weight of 392.41 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 86574694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).