N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C22H15ClFN3O3 — CID 43996190

IUPACN-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C22H15ClFN3O3/c23-15-7-8-19(28)18(11-15)26-21(29)16-10-13-5-3-9-25-20(13)27(22(16)30)12-14-4-1-2-6-17(14)24/h1-11,28H,12H2,(H,26,29)
InChIKeyGVFQCNZCBSBURS-UHFFFAOYSA-N
MW423.83 g/mol
LogP4.20
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996190) has the molecular formula C22H15ClFN3O3 and a molecular weight of 423.83 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43996190
Molecular FormulaC22H15ClFN3O3
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C22H15ClFN3O3/c23-15-7-8-19(28)18(11-15)26-21(29)16-10-13-5-3-9-25-20(13)27(22(16)30)12-14-4-1-2-6-17(14)24/h1-11,28H,12H2,(H,26,29)
InChIKeyGVFQCNZCBSBURS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621088
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621091
1-[(2-fluorophenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621078
1-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621080
1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 135782798
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
1-[(2-fluorophenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996202
1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide
CID 43996302
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996190) is N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1cc2cccnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GVFQCNZCBSBURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O3/c23-15-7-8-19(28)18(11-15)26-21(29)16-10-13-5-3-9-25-20(13)27(22(16)30)12-14-4-1-2-6-17(14)24/h1-11,28H,12H2,(H,26,29).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-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 N-(5-chloro-2-hydroxyphenyl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).