ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate

C15H18N2O4 — CID 54684680

IUPACethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2c(CC)nc(CC)cc2[nH]c1=O
InChIInChI=1S/C15H18N2O4/c1-4-8-7-10-11(9(5-2)16-8)13(18)12(14(19)17-10)15(20)21-6-3/h7H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyLKYBGZSMKZOUTO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.93
Rot. Bonds4

About ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate

ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate (PubChem CID 54684680) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate
PubChem CID54684680
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2c(CC)nc(CC)cc2[nH]c1=O
InChIInChI=1S/C15H18N2O4/c1-4-8-7-10-11(9(5-2)16-8)13(18)12(14(19)17-10)15(20)21-6-3/h7H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyLKYBGZSMKZOUTO-UHFFFAOYSA-N
XLogP1.93
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 167020392
ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 54738298
ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
methyl 7-chloro-5-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 54726653
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 54734835
ethyl 6-decoxy-7-ethoxy-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 123144024
diethyl 2-amino-6-ethylpyridine-3,4-dicarboxylate
CID 162343069
ethyl 3-hydroxy-6-iodo-2-oxo-1H-quinoline-4-carboxylate
CID 86731085
ethyl 7-hydroxy-3-methyl-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylate
CID 54686579

Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate (CID 54684680) is ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2c(CC)nc(CC)cc2[nH]c1=O.
What is the InChIKey of ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
The InChIKey is LKYBGZSMKZOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-8-7-10-11(9(5-2)16-8)13(18)12(14(19)17-10)15(20)21-6-3/h7H,4-6H2,1-3H3,(H2,17,18,19).
What are the key properties of ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate?
ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-diethyl-4-hydroxy-2-oxo-1H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 54684680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).