potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride

C16H18FKN2O3S — CID 173371449

IUPACpotassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCSCC3)cc21.[H-].[K+]
InChIInChI=1S/C16H17FN2O3S.K.H/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-3-5-23-6-4-19;;/h7-9H,2-6H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyHVYNPNASZCIEQS-UHFFFAOYSA-N
MW376.49 g/mol
LogP-0.47
Rot. Bonds3

About potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride

potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride (PubChem CID 173371449) has the molecular formula C16H18FKN2O3S and a molecular weight of 376.49 g/mol. Its IUPAC name is potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride.

Molecular Properties

Compound Namepotassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
PubChem CID173371449
Molecular FormulaC16H18FKN2O3S
Molecular Weight376.49 g/mol
Exact Mass376.07
IUPAC Namepotassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCSCC3)cc21.[H-].[K+]
InChIInChI=1S/C16H17FN2O3S.K.H/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-3-5-23-6-4-19;;/h7-9H,2-6H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyHVYNPNASZCIEQS-UHFFFAOYSA-N
XLogP-0.47
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 12733930
1-ethyl-6-fluoro-4-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 15097881
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
1-ethyl-6-fluoro-7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142486682
1-ethyl-6-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21289019
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydron;methanesulfonate
CID 24883450
7-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 9291696
CID 88745389
CID 88745389
1-ethyl-6-fluoro-7-(4-hexanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 4523002

Frequently Asked Questions

What is the IUPAC name of potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride?
The IUPAC name of potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride (CID 173371449) is potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride.
What is the SMILES notation for potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride?
The canonical SMILES for potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCSCC3)cc21.[H-].[K+].
What is the InChIKey of potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride?
The InChIKey is HVYNPNASZCIEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S.K.H/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-3-5-23-6-4-19;;/h7-9H,2-6H2,1H3,(H,21,22);;/q;+1;-1.
What are the key properties of potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride?
potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride has a molecular weight of 376.49 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride is sourced from PubChem (CID 173371449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).