ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate

C19H15F3N2O4 — CID 58882939

IUPACethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3c(F)cc(F)cc3F)cc2n(C)c1=O
InChIInChI=1S/C19H15F3N2O4/c1-3-28-19(27)15-17(25)16-14(24(2)18(15)26)5-9(8-23-16)4-11-12(21)6-10(20)7-13(11)22/h5-8,25H,3-4H2,1-2H3
InChIKeyCWVWBCZFYZMNLE-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.82
Rot. Bonds4

About ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate

ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate (PubChem CID 58882939) has the molecular formula C19H15F3N2O4 and a molecular weight of 392.33 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate
PubChem CID58882939
Molecular FormulaC19H15F3N2O4
Molecular Weight392.33 g/mol
Exact Mass392.10
IUPAC Nameethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3c(F)cc(F)cc3F)cc2n(C)c1=O
InChIInChI=1S/C19H15F3N2O4/c1-3-28-19(27)15-17(25)16-14(24(2)18(15)26)5-9(8-23-16)4-11-12(21)6-10(20)7-13(11)22/h5-8,25H,3-4H2,1-2H3
InChIKeyCWVWBCZFYZMNLE-UHFFFAOYSA-N
XLogP2.82
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate (CID 58882939) is ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3c(F)cc(F)cc3F)cc2n(C)c1=O.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate?
The InChIKey is CWVWBCZFYZMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O4/c1-3-28-19(27)15-17(25)16-14(24(2)18(15)26)5-9(8-23-16)4-11-12(21)6-10(20)7-13(11)22/h5-8,25H,3-4H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate?
ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 392.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-2-oxo-7-[(2,4,6-trifluorophenyl)methyl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 58882939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).