ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate

C13H14N2O4 — CID 54696181

IUPACethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C13H14N2O4/c1-4-19-13(18)9-10(16)8-6-5-7(2)14-11(8)15(3)12(9)17/h5-6,16H,4H2,1-3H3
InChIKeyGIUGFEXUGASMSZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.12
Rot. Bonds2

About ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54696181) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54696181
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C13H14N2O4/c1-4-19-13(18)9-10(16)8-6-5-7(2)14-11(8)15(3)12(9)17/h5-6,16H,4H2,1-3H3
InChIKeyGIUGFEXUGASMSZ-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 5-hydroxy-8-methyl-7-oxo-1,8-naphthyridine-2,6-dicarboxylate
CID 54690800
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474
ethyl 4-hydroxy-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 166095197
ethyl 1-(4-chlorophenyl)-4-hydroxy-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 175617125
ethyl 6-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 170073021
ethyl 5-hydroxy-7-oxo-2-phenyl-8-propylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 54729615
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
ethyl 1-(4-chloro-2-fluorophenyl)-4-hydroxy-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 175617163
ethyl 8-ethyl-5-hydroxy-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 54731864

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 54696181) is ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ccc(C)nc2n(C)c1=O.
What is the InChIKey of ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is GIUGFEXUGASMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-4-19-13(18)9-10(16)8-6-5-7(2)14-11(8)15(3)12(9)17/h5-6,16H,4H2,1-3H3.
What are the key properties of ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1,7-dimethyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54696181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).