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

C13H14N2O4 — CID 19374333

IUPACethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ncc(OCC)cc2c1=O
InChIInChI=1S/C13H14N2O4/c1-3-18-8-5-9-11(16)10(13(17)19-4-2)7-15-12(9)14-6-8/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyUCFWEHSOTZKMIE-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.50
Rot. Bonds4

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

ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 19374333) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID19374333
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ncc(OCC)cc2c1=O
InChIInChI=1S/C13H14N2O4/c1-3-18-8-5-9-11(16)10(13(17)19-4-2)7-15-12(9)14-6-8/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyUCFWEHSOTZKMIE-UHFFFAOYSA-N
XLogP1.50
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
CID 19374300
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorobenzamide
CID 68669544
ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59242632
ethyl 7-oxo-4H-thiadiazolo[4,5-b]pyridine-6-carboxylate
CID 58332139
3-hydroxypropyl 6-(2-bromoethyl)-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 91034936
ethyl 4-oxo-7-tetradecoxy-1H-quinoline-3-carboxylate
CID 154101984
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 19374333) is ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2ncc(OCC)cc2c1=O.
What is the InChIKey of ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is UCFWEHSOTZKMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-18-8-5-9-11(16)10(13(17)19-4-2)7-15-12(9)14-6-8/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19374333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).