8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid

C13H13NO4 — CID 46741603

IUPAC8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1cccc2c(=O)c(C(=O)O)cn(C)c12
InChIInChI=1S/C13H13NO4/c1-3-18-10-6-4-5-8-11(10)14(2)7-9(12(8)15)13(16)17/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeySOJKHUDONPJJTA-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.64
Rot. Bonds3

About 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid

8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 46741603) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID46741603
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1cccc2c(=O)c(C(=O)O)cn(C)c12
InChIInChI=1S/C13H13NO4/c1-3-18-10-6-4-5-8-11(10)14(2)7-9(12(8)15)13(16)17/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeySOJKHUDONPJJTA-UHFFFAOYSA-N
XLogP1.64
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 46741603) is 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid is CCOc1cccc2c(=O)c(C(=O)O)cn(C)c12.
What is the InChIKey of 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is SOJKHUDONPJJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-18-10-6-4-5-8-11(10)14(2)7-9(12(8)15)13(16)17/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid?
8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 46741603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).