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

C13H14N2O4 — CID 54696180

IUPACethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(CC)c1=O
InChIInChI=1S/C13H14N2O4/c1-3-15-11-8(6-5-7-14-11)10(16)9(12(15)17)13(18)19-4-2/h5-7,16H,3-4H2,1-2H3
InChIKeySMDQJUUQICOTKO-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.30
Rot. Bonds3

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

ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54696180) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54696180
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(CC)c1=O
InChIInChI=1S/C13H14N2O4/c1-3-15-11-8(6-5-7-14-11)10(16)9(12(15)17)13(18)19-4-2/h5-7,16H,3-4H2,1-2H3
InChIKeySMDQJUUQICOTKO-UHFFFAOYSA-N
XLogP1.30
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474
ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 54731864
ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
CID 54210099
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696181
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
diethyl 5-hydroxy-8-methyl-7-oxo-1,8-naphthyridine-2,6-dicarboxylate
CID 54690800
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493
ethane;ethyl 2-methyl-1-[(4-oxocyclohexyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 142589918
ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 54729615
ethyl 5-bromo-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 175869724
3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (CID 54696180) is ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cccnc2n(CC)c1=O.
What is the InChIKey of ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is SMDQJUUQICOTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-15-11-8(6-5-7-14-11)10(16)9(12(15)17)13(18)19-4-2/h5-7,16H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54696180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).