ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate

C15H17NO3 — CID 927791

IUPACethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C)c(CC)c(=O)c2c1
InChIInChI=1S/C15H17NO3/c1-4-11-9(3)16-13-7-6-10(15(18)19-5-2)8-12(13)14(11)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyKMSRPSUZQCZUIF-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.58
Rot. Bonds3

About ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate

ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 927791) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
PubChem CID927791
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Nameethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(C)c(CC)c(=O)c2c1
InChIInChI=1S/C15H17NO3/c1-4-11-9(3)16-13-7-6-10(15(18)19-5-2)8-12(13)14(11)17/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyKMSRPSUZQCZUIF-UHFFFAOYSA-N
XLogP2.58
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate
CID 4614042
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 1190137
ethyl 2-methyl-3-(sulfanylmethoxy)-1H-indole-5-carboxylate
CID 57004484
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 730971
dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6995828
propyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4220962
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
CID 135017692
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 5014178

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate (CID 927791) is ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2[nH]c(C)c(CC)c(=O)c2c1.
What is the InChIKey of ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is KMSRPSUZQCZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-4-11-9(3)16-13-7-6-10(15(18)19-5-2)8-12(13)14(11)17/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate?
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 927791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).