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

C22H15ClFN3O3 — CID 54726991

IUPACN-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H15ClFN3O3/c23-14-5-3-13(4-6-14)12-26-21(29)18-19(28)17-2-1-11-25-20(17)27(22(18)30)16-9-7-15(24)8-10-16/h1-11,28H,12H2,(H,26,29)
InChIKeyXFGHMXZJTDRSHV-UHFFFAOYSA-N
MW423.83 g/mol
LogP3.81
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54726991) has the molecular formula C22H15ClFN3O3 and a molecular weight of 423.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54726991
Molecular FormulaC22H15ClFN3O3
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H15ClFN3O3/c23-14-5-3-13(4-6-14)12-26-21(29)18-19(28)17-2-1-11-25-20(17)27(22(18)30)16-9-7-15(24)8-10-16/h1-11,28H,12H2,(H,26,29)
InChIKeyXFGHMXZJTDRSHV-UHFFFAOYSA-N
XLogP3.81
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54726991) is N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XFGHMXZJTDRSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O3/c23-14-5-3-13(4-6-14)12-26-21(29)18-19(28)17-2-1-11-25-20(17)27(22(18)30)16-9-7-15(24)8-10-16/h1-11,28H,12H2,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 423.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).