methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate

C23H16FN3O5 — CID 54726961

IUPACmethyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H16FN3O5/c1-32-23(31)13-4-2-5-15(12-13)26-21(29)18-19(28)17-6-3-11-25-20(17)27(22(18)30)16-9-7-14(24)8-10-16/h2-12,28H,1H3,(H,26,29)
InChIKeyRPICXZSZDCPEOM-UHFFFAOYSA-N
MW433.40 g/mol
LogP3.27
Rot. Bonds4

About methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate

methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate (PubChem CID 54726961) has the molecular formula C23H16FN3O5 and a molecular weight of 433.40 g/mol. Its IUPAC name is methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
PubChem CID54726961
Molecular FormulaC23H16FN3O5
Molecular Weight433.40 g/mol
Exact Mass433.11
IUPAC Namemethyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C23H16FN3O5/c1-32-23(31)13-4-2-5-15(12-13)26-21(29)18-19(28)17-6-3-11-25-20(17)27(22(18)30)16-9-7-14(24)8-10-16/h2-12,28H,1H3,(H,26,29)
InChIKeyRPICXZSZDCPEOM-UHFFFAOYSA-N
XLogP3.27
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726973
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726976
4-hydroxy-1-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727123
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727105
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 98235517
N-(4-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727141
N-(2-fluoro-4-methylphenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726909

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate (CID 54726961) is methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate?
The InChIKey is RPICXZSZDCPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O5/c1-32-23(31)13-4-2-5-15(12-13)26-21(29)18-19(28)17-6-3-11-25-20(17)27(22(18)30)16-9-7-14(24)8-10-16/h2-12,28H,1H3,(H,26,29).
What are the key properties of methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate?
methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate has a molecular weight of 433.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 54726961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).