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

C22H15F2N3O3 — CID 54726976

IUPACN-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H15F2N3O3/c1-12-11-14(24)6-9-17(12)26-21(29)18-19(28)16-3-2-10-25-20(16)27(22(18)30)15-7-4-13(23)5-8-15/h2-11,28H,1H3,(H,26,29)
InChIKeyZOUPLNGFYUDCHP-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.93
Rot. Bonds3

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

N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54726976) has the molecular formula C22H15F2N3O3 and a molecular weight of 407.38 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54726976
Molecular FormulaC22H15F2N3O3
Molecular Weight407.38 g/mol
Exact Mass407.11
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H15F2N3O3/c1-12-11-14(24)6-9-17(12)26-21(29)18-19(28)16-3-2-10-25-20(16)27(22(18)30)15-7-4-13(23)5-8-15/h2-11,28H,1H3,(H,26,29)
InChIKeyZOUPLNGFYUDCHP-UHFFFAOYSA-N
XLogP3.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.93
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-(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
N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726973
methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
CID 54726961
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54726882
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727129
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727105
N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726905
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 98235517

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54726976) is N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1cc(F)ccc1NC(=O)c1c(O)c2cccnc2n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZOUPLNGFYUDCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O3/c1-12-11-14(24)6-9-17(12)26-21(29)18-19(28)16-3-2-10-25-20(16)27(22(18)30)15-7-4-13(23)5-8-15/h2-11,28H,1H3,(H,26,29).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 407.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).