1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H18FN3O4 — CID 54726986

IUPAC1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H18FN3O4/c1-31-17-10-4-14(5-11-17)13-26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)16-8-6-15(24)7-9-16/h2-12,28H,13H2,1H3,(H,26,29)
InChIKeyICVKLKGQBJTUQL-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54726986) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54726986
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C23H18FN3O4/c1-31-17-10-4-14(5-11-17)13-26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)16-8-6-15(24)7-9-16/h2-12,28H,13H2,1H3,(H,26,29)
InChIKeyICVKLKGQBJTUQL-UHFFFAOYSA-N
XLogP3.17
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54726986) is 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(CNC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ICVKLKGQBJTUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-31-17-10-4-14(5-11-17)13-26-22(29)19-20(28)18-3-2-12-25-21(18)27(23(19)30)16-8-6-15(24)7-9-16/h2-12,28H,13H2,1H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).