ethyl 2-oxo-1H-quinoline-3-carboxylate

C12H11NO3 — CID 589276

IUPACethyl 2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyPOZIHPKRJFLANV-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.70
Rot. Bonds2

About ethyl 2-oxo-1H-quinoline-3-carboxylate

ethyl 2-oxo-1H-quinoline-3-carboxylate (PubChem CID 589276) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1H-quinoline-3-carboxylate
PubChem CID589276
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C12H11NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChIKeyPOZIHPKRJFLANV-UHFFFAOYSA-N
XLogP1.70
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-oxo-1H-quinoline-3-carboxylate (CID 589276) is ethyl 2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is POZIHPKRJFLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-oxo-1H-quinoline-3-carboxylate?
ethyl 2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 589276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).