ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate

C14H15NO3 — CID 684193

IUPACethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyZFOFJXFVCJQXBL-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.27
Rot. Bonds3

About ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 684193) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID684193
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyZFOFJXFVCJQXBL-UHFFFAOYSA-N
XLogP2.27
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-ethyl-4-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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate (CID 684193) is ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(CC)cc2c1=O.
What is the InChIKey of ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is ZFOFJXFVCJQXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 684193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).