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

C17H14N2O4 — CID 54729995

IUPACmethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C17H14N2O4/c1-23-17(22)13-15(20)14-12(19-16(13)21)8-11(9-18-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,19,20,21)
InChIKeyJNHPMLMZPGXEBT-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.01
Rot. Bonds3

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

methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (PubChem CID 54729995) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
PubChem CID54729995
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C17H14N2O4/c1-23-17(22)13-15(20)14-12(19-16(13)21)8-11(9-18-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,19,20,21)
InChIKeyJNHPMLMZPGXEBT-UHFFFAOYSA-N
XLogP2.01
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (CID 54729995) is methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is COC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O.
What is the InChIKey of methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The InChIKey is JNHPMLMZPGXEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-17(22)13-15(20)14-12(19-16(13)21)8-11(9-18-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H2,19,20,21).
What are the key properties of methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-benzyl-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 54729995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).