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

C12H12N2O4 — CID 54696179

IUPACethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H12N2O4/c1-3-18-12(17)8-9(15)7-5-4-6-13-10(7)14(2)11(8)16/h4-6,15H,3H2,1-2H3
InChIKeyQKKSOVGCSSPZBN-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.82
Rot. Bonds2

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

ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54696179) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54696179
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Nameethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(C)c1=O
InChIInChI=1S/C12H12N2O4/c1-3-18-12(17)8-9(15)7-5-4-6-13-10(7)14(2)11(8)16/h4-6,15H,3H2,1-2H3
InChIKeyQKKSOVGCSSPZBN-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate (CID 54696179) is ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cccnc2n(C)c1=O.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is QKKSOVGCSSPZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-18-12(17)8-9(15)7-5-4-6-13-10(7)14(2)11(8)16/h4-6,15H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-hydroxy-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 0.82, 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-methyl-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54696179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).