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

C21H12ClF2N3O3 — CID 54726973

IUPACN-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C21H12ClF2N3O3/c22-15-10-12(5-8-16(15)24)26-20(29)17-18(28)14-2-1-9-25-19(14)27(21(17)30)13-6-3-11(23)4-7-13/h1-10,28H,(H,26,29)
InChIKeyRIJKOHMPVHQCJC-UHFFFAOYSA-N
MW427.79 g/mol
LogP4.28
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54726973) has the molecular formula C21H12ClF2N3O3 and a molecular weight of 427.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54726973
Molecular FormulaC21H12ClF2N3O3
Molecular Weight427.79 g/mol
Exact Mass427.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C21H12ClF2N3O3/c22-15-10-12(5-8-16(15)24)26-20(29)17-18(28)14-2-1-9-25-19(14)27(21(17)30)13-6-3-11(23)4-7-13/h1-10,28H,(H,26,29)
InChIKeyRIJKOHMPVHQCJC-UHFFFAOYSA-N
XLogP4.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726940
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727105
methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
CID 54726961
1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727019
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726976
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726905
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54733631
4-hydroxy-2-oxo-1-phenyl-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
CID 54722015
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
N-(2-fluoro-4-methylphenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726909
N-(2,4-difluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727135

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54726973) is N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is RIJKOHMPVHQCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2N3O3/c22-15-10-12(5-8-16(15)24)26-20(29)17-18(28)14-2-1-9-25-19(14)27(21(17)30)13-6-3-11(23)4-7-13/h1-10,28H,(H,26,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 427.79 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).