1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid

C13H13NO4 — CID 659219

IUPAC1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C13H13NO4/c1-3-14-7-10(13(16)17)12(15)9-6-8(18-2)4-5-11(9)14/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyYTWMJESCVWECIP-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.73
Rot. Bonds3

About 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid

1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 659219) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID659219
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C13H13NO4/c1-3-14-7-10(13(16)17)12(15)9-6-8(18-2)4-5-11(9)14/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyYTWMJESCVWECIP-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid (CID 659219) is 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is YTWMJESCVWECIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-14-7-10(13(16)17)12(15)9-6-8(18-2)4-5-11(9)14/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid?
1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 659219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).