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

C13H13NO3 — CID 905569

IUPACethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)cc(C)[nH]c12
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-6-4-5-9-11(15)7-8(2)14-12(9)10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyDAHKJZNNKRXLAJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.01
Rot. Bonds2

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

ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate (PubChem CID 905569) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
PubChem CID905569
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)cc(C)[nH]c12
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-6-4-5-9-11(15)7-8(2)14-12(9)10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyDAHKJZNNKRXLAJ-UHFFFAOYSA-N
XLogP2.01
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate?
The IUPAC name of ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate (CID 905569) is ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate is CCOC(=O)c1cccc2c(=O)cc(C)[nH]c12.
What is the InChIKey of ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate?
The InChIKey is DAHKJZNNKRXLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-13(16)10-6-4-5-9-11(15)7-8(2)14-12(9)10/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate?
ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate is sourced from PubChem (CID 905569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).