ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate

C14H15NO4 — CID 156738465

IUPACethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate
SMILESCCOC(=O)c1cc(OC)cc2c(=O)cc(C)[nH]c12
InChIInChI=1S/C14H15NO4/c1-4-19-14(17)11-7-9(18-3)6-10-12(16)5-8(2)15-13(10)11/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeySGQLGZLLRFXFCX-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.02
Rot. Bonds3

About ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate

ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate (PubChem CID 156738465) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate
PubChem CID156738465
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate
SMILESCCOC(=O)c1cc(OC)cc2c(=O)cc(C)[nH]c12
InChIInChI=1S/C14H15NO4/c1-4-19-14(17)11-7-9(18-3)6-10-12(16)5-8(2)15-13(10)11/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeySGQLGZLLRFXFCX-UHFFFAOYSA-N
XLogP2.02
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-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-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate?
The IUPAC name of ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate (CID 156738465) is ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate is CCOC(=O)c1cc(OC)cc2c(=O)cc(C)[nH]c12.
What is the InChIKey of ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate?
The InChIKey is SGQLGZLLRFXFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-19-14(17)11-7-9(18-3)6-10-12(16)5-8(2)15-13(10)11/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate?
ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate is sourced from PubChem (CID 156738465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).