diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate

C14H14N2O5 — CID 57068684

IUPACdiethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1[nH]c2cccnc2c(=O)c1C(=O)OCC
InChIInChI=1S/C14H14N2O5/c1-3-20-13(18)9-11(14(19)21-4-2)16-8-6-5-7-15-10(8)12(9)17/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyCGIOQMJZTIBQBT-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.28
Rot. Bonds4

About diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate

diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate (PubChem CID 57068684) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
PubChem CID57068684
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Namediethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
SMILESCCOC(=O)c1[nH]c2cccnc2c(=O)c1C(=O)OCC
InChIInChI=1S/C14H14N2O5/c1-3-20-13(18)9-11(14(19)21-4-2)16-8-6-5-7-15-10(8)12(9)17/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyCGIOQMJZTIBQBT-UHFFFAOYSA-N
XLogP1.28
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 58929029
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
CID 54696338
diethyl 1-hydroxypyrrolo[3,2-b]pyridine-2,3-dicarboxylate
CID 19977741
ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate
CID 139690765
3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 84662505
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095
ethyl 4-bromo-5-chloro-3-pyridin-2-yl-1H-indole-2-carboxylate
CID 12852038
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate
CID 59699606
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 7576620
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311

Frequently Asked Questions

What is the IUPAC name of diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
The IUPAC name of diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate (CID 57068684) is diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
The canonical SMILES for diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate is CCOC(=O)c1[nH]c2cccnc2c(=O)c1C(=O)OCC.
What is the InChIKey of diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
The InChIKey is CGIOQMJZTIBQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-3-20-13(18)9-11(14(19)21-4-2)16-8-6-5-7-15-10(8)12(9)17/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate?
diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate has a molecular weight of 290.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate is sourced from PubChem (CID 57068684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).