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

C13H14N2O3 — CID 600067

IUPACethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2nc(C)ccc2c1=O
InChIInChI=1S/C13H14N2O3/c1-4-18-13(17)10-7-15(3)12-9(11(10)16)6-5-8(2)14-12/h5-7H,4H2,1-3H3
InChIKeyVHPZXQIDPLUMPQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.42
Rot. Bonds2

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

ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 600067) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID600067
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C)c2nc(C)ccc2c1=O
InChIInChI=1S/C13H14N2O3/c1-4-18-13(17)10-7-15(3)12-9(11(10)16)6-5-8(2)14-12/h5-7H,4H2,1-3H3
InChIKeyVHPZXQIDPLUMPQ-UHFFFAOYSA-N
XLogP1.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 147507545
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940935
ethyl 7-methyl-1-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 75471596
ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 91367850
ethyl 8-methyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 21497074
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 86777733
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372

Frequently Asked Questions

What is the IUPAC name of ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 600067) is ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is VHPZXQIDPLUMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-4-18-13(17)10-7-15(3)12-9(11(10)16)6-5-8(2)14-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 600067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).