ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

C13H12N2O5 — CID 54710474

IUPACethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(C(C)=O)c1=O
InChIInChI=1S/C13H12N2O5/c1-3-20-13(19)9-10(17)8-5-4-6-14-11(8)15(7(2)16)12(9)18/h4-6,17H,3H2,1-2H3
InChIKeyWBHZQLYIBAPPMQ-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.94
Rot. Bonds2

About ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54710474) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54710474
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Nameethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(C(C)=O)c1=O
InChIInChI=1S/C13H12N2O5/c1-3-20-13(19)9-10(17)8-5-4-6-14-11(8)15(7(2)16)12(9)18/h4-6,17H,3H2,1-2H3
InChIKeyWBHZQLYIBAPPMQ-UHFFFAOYSA-N
XLogP0.94
TPSA98.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
CID 54210099
diethyl 5-hydroxy-8-methyl-7-oxo-1,8-naphthyridine-2,6-dicarboxylate
CID 54690800
ethane;ethyl 2-methyl-1-[(4-oxocyclohexyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 142589918
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
CID 54696338
ethyl 2-oxo-1-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-1,8-naphthyridine-3-carboxylate
CID 86639640
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 54731864
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 1-acetyl-2-hydroxypyrrolo[2,3-c]pyridine-3-carboxylate
CID 135780320

Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (CID 54710474) is ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cccnc2n(C(C)=O)c1=O.
What is the InChIKey of ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is WBHZQLYIBAPPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-3-20-13(19)9-10(17)8-5-4-6-14-11(8)15(7(2)16)12(9)18/h4-6,17H,3H2,1-2H3.
What are the key properties of ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 276.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54710474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).