ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate

C13H14N2O4 — CID 59242632

IUPACethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(O)c(CC)ncc2c1=O
InChIInChI=1S/C13H14N2O4/c1-3-9-12(17)10-7(5-14-9)11(16)8(6-15-10)13(18)19-4-2/h5-6,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyAKPSHNAHPRLQHT-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.37
Rot. Bonds3

About ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate

ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate (PubChem CID 59242632) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
PubChem CID59242632
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(O)c(CC)ncc2c1=O
InChIInChI=1S/C13H14N2O4/c1-3-9-12(17)10-7(5-14-9)11(16)8(6-15-10)13(18)19-4-2/h5-6,17H,3-4H2,1-2H3,(H,15,16)
InChIKeyAKPSHNAHPRLQHT-UHFFFAOYSA-N
XLogP1.37
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 15675226
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
CID 133060055
ethane;ethyl 8-(hydroxymethyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 143454813
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355
ethyl 8-bromo-4-oxo-1H-1,5-naphthyridine-3-carboxylate
CID 123135674
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate (CID 59242632) is ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2c(O)c(CC)ncc2c1=O.
What is the InChIKey of ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate?
The InChIKey is AKPSHNAHPRLQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-9-12(17)10-7(5-14-9)11(16)8(6-15-10)13(18)19-4-2/h5-6,17H,3-4H2,1-2H3,(H,15,16).
What are the key properties of ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate?
ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 59242632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).