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

C13H13NO3 — CID 7453721

IUPACethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)9-4-5-11-10(7-9)8(2)6-12(15)14-11/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyIDVSHHVGDOUVIE-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.01
Rot. Bonds2

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

ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate (PubChem CID 7453721) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
PubChem CID7453721
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)9-4-5-11-10(7-9)8(2)6-12(15)14-11/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyIDVSHHVGDOUVIE-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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Related Compounds

ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 2-methyl-3-(sulfanylmethoxy)-1H-indole-5-carboxylate
CID 57004484
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
2-O-ethyl 5-O-propyl 3-formyl-1H-indole-2,5-dicarboxylate
CID 82214170
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
CID 135017692
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209376
propyl 2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 7109613

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate (CID 7453721) is ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate?
The InChIKey is IDVSHHVGDOUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-13(16)9-4-5-11-10(7-9)8(2)6-12(15)14-11/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate?
ethyl 4-methyl-2-oxo-1H-quinoline-6-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 4-methyl-2-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 7453721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).