6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid

C15H15NO6 — CID 139626680

IUPAC6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c1)c(O)c(C(=O)O)c(=O)n2CC
InChIInChI=1S/C15H15NO6/c1-3-16-10-6-5-8(15(21)22-4-2)7-9(10)12(17)11(13(16)18)14(19)20/h5-7,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyYNGAWPXDZLLMFL-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.60
Rot. Bonds4

About 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid

6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid (PubChem CID 139626680) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
PubChem CID139626680
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c1)c(O)c(C(=O)O)c(=O)n2CC
InChIInChI=1S/C15H15NO6/c1-3-16-10-6-5-8(15(21)22-4-2)7-9(10)12(17)11(13(16)18)14(19)20/h5-7,17H,3-4H2,1-2H3,(H,19,20)
InChIKeyYNGAWPXDZLLMFL-UHFFFAOYSA-N
XLogP1.60
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid (CID 139626680) is 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid is CCOC(=O)c1ccc2c(c1)c(O)c(C(=O)O)c(=O)n2CC.
What is the InChIKey of 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
The InChIKey is YNGAWPXDZLLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-3-16-10-6-5-8(15(21)22-4-2)7-9(10)12(17)11(13(16)18)14(19)20/h5-7,17H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139626680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).