7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid

C16H14N2O7 — CID 132839571

IUPAC7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(O)c(N3CC(=O)OC(=O)C3)cc21
InChIInChI=1S/C16H14N2O7/c1-2-17-5-9(16(23)24)15(22)8-3-12(19)11(4-10(8)17)18-6-13(20)25-14(21)7-18/h3-5,19H,2,6-7H2,1H3,(H,23,24)
InChIKeyWSKMOPGGCYBURN-UHFFFAOYSA-N
MW346.30 g/mol
LogP0.31
Rot. Bonds3

About 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid

7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 132839571) has the molecular formula C16H14N2O7 and a molecular weight of 346.30 g/mol. Its IUPAC name is 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid
PubChem CID132839571
Molecular FormulaC16H14N2O7
Molecular Weight346.30 g/mol
Exact Mass346.08
IUPAC Name7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(O)c(N3CC(=O)OC(=O)C3)cc21
InChIInChI=1S/C16H14N2O7/c1-2-17-5-9(16(23)24)15(22)8-3-12(19)11(4-10(8)17)18-6-13(20)25-14(21)7-18/h3-5,19H,2,6-7H2,1H3,(H,23,24)
InChIKeyWSKMOPGGCYBURN-UHFFFAOYSA-N
XLogP0.31
TPSA126.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-4-oxo-6,7-di(piperazin-1-yl)quinoline-3-carboxylic acid
CID 15797326
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
6-chloro-1-ethyl-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 12944899
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-iodo-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 102122995
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
CID 173371449
1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 12733930
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-morpholin-4-yl-4-oxoquinoline-3-carboxylic acid
CID 141190200
1-ethyl-6-fluoro-4-oxo-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 15097881

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid (CID 132839571) is 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(O)c(N3CC(=O)OC(=O)C3)cc21.
What is the InChIKey of 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is WSKMOPGGCYBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O7/c1-2-17-5-9(16(23)24)15(22)8-3-12(19)11(4-10(8)17)18-6-13(20)25-14(21)7-18/h3-5,19H,2,6-7H2,1H3,(H,23,24).
What are the key properties of 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid?
7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 346.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dioxomorpholin-4-yl)-1-ethyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 132839571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).