ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate

C13H13NO3 — CID 707150

IUPACethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-8(2)5-4-6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyHYUYDOCMASKUMM-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.01
Rot. Bonds2

About ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate

ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 707150) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID707150
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(C)cccc2c1=O
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-8(2)5-4-6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyHYUYDOCMASKUMM-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 8-methyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate (CID 707150) is ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(C)cccc2c1=O.
What is the InChIKey of ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is HYUYDOCMASKUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-13(16)10-7-14-11-8(2)5-4-6-9(11)12(10)15/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 8-methyl-4-oxo-1H-quinoline-3-carboxylate?
ethyl 8-methyl-4-oxo-1H-quinoline-3-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 8-methyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 707150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).