ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate

C13H13NO4 — CID 22509332

IUPACethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2[nH]c1=O
InChIInChI=1S/C13H13NO4/c1-3-18-13(16)9-7-8-5-4-6-10(17-2)11(8)14-12(9)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyOBLOCDDEGLFYBW-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.71
Rot. Bonds3

About ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate

ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 22509332) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID22509332
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cccc(OC)c2[nH]c1=O
InChIInChI=1S/C13H13NO4/c1-3-18-13(16)9-7-8-5-4-6-10(17-2)11(8)14-12(9)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyOBLOCDDEGLFYBW-UHFFFAOYSA-N
XLogP1.71
TPSA68.39 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
CID 6501538
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 7-(4-methoxyphenoxy)-1H-indole-2-carboxylate
CID 19042831
bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 140508403
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
8-ethyl-3-methoxy-1H-quinolin-2-one
CID 119083523

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate (CID 22509332) is ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1cc2cccc(OC)c2[nH]c1=O.
What is the InChIKey of ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is OBLOCDDEGLFYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-3-18-13(16)9-7-8-5-4-6-10(17-2)11(8)14-12(9)15/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate?
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 22509332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).