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

C18H16N2O4 — CID 54729996

IUPACethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C18H16N2O4/c1-2-24-18(23)14-16(21)15-13(20-17(14)22)9-12(10-19-15)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H2,20,21,22)
InChIKeyXICPQXZXVNBVGU-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.40
Rot. Bonds4

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

ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (PubChem CID 54729996) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
PubChem CID54729996
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C18H16N2O4/c1-2-24-18(23)14-16(21)15-13(20-17(14)22)9-12(10-19-15)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H2,20,21,22)
InChIKeyXICPQXZXVNBVGU-UHFFFAOYSA-N
XLogP2.40
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (CID 54729996) is ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The InChIKey is XICPQXZXVNBVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-24-18(23)14-16(21)15-13(20-17(14)22)9-12(10-19-15)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H2,20,21,22).
What are the key properties of ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 54729996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).