1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C22H15ClFN3O3 — CID 54727019

IUPAC1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H15ClFN3O3/c23-16-11-14(8-9-17(16)24)26-21(29)18-19(28)15-7-4-10-25-20(15)27(22(18)30)12-13-5-2-1-3-6-13/h1-11,28H,12H2,(H,26,29)
InChIKeyOITGGGJEGSBAGP-UHFFFAOYSA-N
MW423.83 g/mol
LogP4.20
Rot. Bonds4

About 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727019) has the molecular formula C22H15ClFN3O3 and a molecular weight of 423.83 g/mol. Its IUPAC name is 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727019
Molecular FormulaC22H15ClFN3O3
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC Name1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H15ClFN3O3/c23-16-11-14(8-9-17(16)24)26-21(29)18-19(28)15-7-4-10-25-20(15)27(22(18)30)12-13-5-2-1-3-6-13/h1-11,28H,12H2,(H,26,29)
InChIKeyOITGGGJEGSBAGP-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727021
1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727016
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726973
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727033
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920
1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54733633
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727105
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831581
1-benzyl-N-(3-chloro-4-fluorophenyl)triazole-4-carboxamide
CID 18146618
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54733631

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727019) is 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OITGGGJEGSBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O3/c23-16-11-14(8-9-17(16)24)26-21(29)18-19(28)15-7-4-10-25-20(15)27(22(18)30)12-13-5-2-1-3-6-13/h1-11,28H,12H2,(H,26,29).
What are the key properties of 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 423.83 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).