ethyl 1-ethyl-2-oxoquinoline-4-carboxylate

C14H15NO3 — CID 10105914

IUPACethyl 1-ethyl-2-oxoquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-3-15-12-8-6-5-7-10(12)11(9-13(15)16)14(17)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyOBJYFVWFNYVICQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.20
Rot. Bonds3

About ethyl 1-ethyl-2-oxoquinoline-4-carboxylate

ethyl 1-ethyl-2-oxoquinoline-4-carboxylate (PubChem CID 10105914) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 1-ethyl-2-oxoquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-oxoquinoline-4-carboxylate
PubChem CID10105914
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 1-ethyl-2-oxoquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-3-15-12-8-6-5-7-10(12)11(9-13(15)16)14(17)18-4-2/h5-9H,3-4H2,1-2H3
InChIKeyOBJYFVWFNYVICQ-UHFFFAOYSA-N
XLogP2.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 667806
4-Ethoxycarbonyl-2-quinolone
CID 160782
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540
1-Isobutyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 182588
1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19793437
2-Oxo-1-phenyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339954
2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340023
1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340030
2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340205
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2417566

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-oxoquinoline-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-oxoquinoline-4-carboxylate (CID 10105914) is ethyl 1-ethyl-2-oxoquinoline-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-oxoquinoline-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-oxoquinoline-4-carboxylate is CCOC(=O)c1cc(=O)n(CC)c2ccccc12.
What is the InChIKey of ethyl 1-ethyl-2-oxoquinoline-4-carboxylate?
The InChIKey is OBJYFVWFNYVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-15-12-8-6-5-7-10(12)11(9-13(15)16)14(17)18-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-oxoquinoline-4-carboxylate?
ethyl 1-ethyl-2-oxoquinoline-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-oxoquinoline-4-carboxylate is sourced from PubChem (CID 10105914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).