ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate

C18H15FN2O4 — CID 54729997

IUPACethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C18H15FN2O4/c1-2-25-18(24)14-16(22)15-13(21-17(14)23)8-11(9-20-15)7-10-3-5-12(19)6-4-10/h3-6,8-9H,2,7H2,1H3,(H2,21,22,23)
InChIKeyLJBRDCBPKTWOTG-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.54
Rot. Bonds4

About ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate

ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (PubChem CID 54729997) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
PubChem CID54729997
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Nameethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C18H15FN2O4/c1-2-25-18(24)14-16(22)15-13(21-17(14)23)8-11(9-20-15)7-10-3-5-12(19)6-4-10/h3-6,8-9H,2,7H2,1H3,(H2,21,22,23)
InChIKeyLJBRDCBPKTWOTG-UHFFFAOYSA-N
XLogP2.54
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate (CID 54729997) is ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
The InChIKey is LJBRDCBPKTWOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-2-25-18(24)14-16(22)15-13(21-17(14)23)8-11(9-20-15)7-10-3-5-12(19)6-4-10/h3-6,8-9H,2,7H2,1H3,(H2,21,22,23).
What are the key properties of ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate?
ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate has a molecular weight of 342.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 54729997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).