ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate

C15H17NO3 — CID 102007983

IUPACethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2ccc(C)cc12
InChIInChI=1S/C15H17NO3/c1-4-16-13-7-6-10(3)8-11(13)12(9-14(16)17)15(18)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyUULLFMMKCGLHQH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds3

About ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate

ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate (PubChem CID 102007983) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate
PubChem CID102007983
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(CC)c2ccc(C)cc12
InChIInChI=1S/C15H17NO3/c1-4-16-13-7-6-10(3)8-11(13)12(9-14(16)17)15(18)19-5-2/h6-9H,4-5H2,1-3H3
InChIKeyUULLFMMKCGLHQH-UHFFFAOYSA-N
XLogP2.51
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
Acetic acid 1-benzoyl-2,6-dimethyl-1,2,3,4-tetrahydro-quinolin-4-yl ester
CID 645583
Propyl 2-hydroxyquinoline-4-carboxylate
CID 649303
butyl 2-oxo-1H-quinoline-4-carboxylate
CID 660495

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate (CID 102007983) is ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate is CCOC(=O)c1cc(=O)n(CC)c2ccc(C)cc12.
What is the InChIKey of ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate?
The InChIKey is UULLFMMKCGLHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-16-13-7-6-10(3)8-11(13)12(9-14(16)17)15(18)19-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate?
ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-methyl-2-oxoquinoline-4-carboxylate is sourced from PubChem (CID 102007983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).