diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate

C15H15NO5 — CID 6501538

IUPACdiethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cc2cccc(C(=O)OCC)c2[nH]c1=O
InChIInChI=1S/C15H15NO5/c1-3-20-14(18)10-7-5-6-9-8-11(15(19)21-4-2)13(17)16-12(9)10/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyWWORZKGMVBAITL-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.88
Rot. Bonds4

About diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate

diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate (PubChem CID 6501538) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
PubChem CID6501538
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namediethyl 2-oxo-1H-quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cc2cccc(C(=O)OCC)c2[nH]c1=O
InChIInChI=1S/C15H15NO5/c1-3-20-14(18)10-7-5-6-9-8-11(15(19)21-4-2)13(17)16-12(9)10/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyWWORZKGMVBAITL-UHFFFAOYSA-N
XLogP1.88
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 905569
acetyl chloride;ethyl 7-acetyl-1H-indole-2-carboxylate
CID 161410841
bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 140508403
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 6-oxo-1,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 154729406
3-ethoxycarbonylnaphthalene-2-diazonium
CID 3698524
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979

Frequently Asked Questions

What is the IUPAC name of diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate?
The IUPAC name of diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate (CID 6501538) is diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate.
What is the SMILES notation for diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate?
The canonical SMILES for diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate is CCOC(=O)c1cc2cccc(C(=O)OCC)c2[nH]c1=O.
What is the InChIKey of diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate?
The InChIKey is WWORZKGMVBAITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-3-20-14(18)10-7-5-6-9-8-11(15(19)21-4-2)13(17)16-12(9)10/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate?
diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-oxo-1H-quinoline-3,8-dicarboxylate is sourced from PubChem (CID 6501538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).