ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate

C23H18FN3O4 — CID 166831442

IUPACethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(Cc2ccncc2)c1=O
InChIInChI=1S/C23H18FN3O4/c1-2-31-23(30)19-20(28)18-11-16(15-3-5-17(24)6-4-15)12-26-21(18)27(22(19)29)13-14-7-9-25-10-8-14/h3-12,28H,2,13H2,1H3
InChIKeyWJYHYQBSFLQZMY-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.53
Rot. Bonds5

About ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate

ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 166831442) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID166831442
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Nameethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(Cc2ccncc2)c1=O
InChIInChI=1S/C23H18FN3O4/c1-2-31-23(30)19-20(28)18-11-16(15-3-5-17(24)6-4-15)12-26-21(18)27(22(19)29)13-14-7-9-25-10-8-14/h3-12,28H,2,13H2,1H3
InChIKeyWJYHYQBSFLQZMY-UHFFFAOYSA-N
XLogP3.53
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate (CID 166831442) is ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(Cc2ccncc2)c1=O.
What is the InChIKey of ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is WJYHYQBSFLQZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-2-31-23(30)19-20(28)18-11-16(15-3-5-17(24)6-4-15)12-26-21(18)27(22(19)29)13-14-7-9-25-10-8-14/h3-12,28H,2,13H2,1H3.
What are the key properties of ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 419.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-1-(pyridin-4-ylmethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 166831442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).