ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate

C15H17NO3 — CID 11521754

IUPACethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C15H17NO3/c1-4-10-6-7-12-11(8-10)14(17)13(9(3)16-12)15(18)19-5-2/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyRYTCQLITPWABMH-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.58
Rot. Bonds3

About ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 11521754) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID11521754
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(CC)cc2c1=O
InChIInChI=1S/C15H17NO3/c1-4-10-6-7-12-11(8-10)14(17)13(9(3)16-12)15(18)19-5-2/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyRYTCQLITPWABMH-UHFFFAOYSA-N
XLogP2.58
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-ethyl-2-methyl-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-2-methyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate (CID 11521754) is ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(C)[nH]c2ccc(CC)cc2c1=O.
What is the InChIKey of ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is RYTCQLITPWABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-10-6-7-12-11(8-10)14(17)13(9(3)16-12)15(18)19-5-2/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 11521754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).