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

C22H16FN3O3 — CID 54726940

IUPAC1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C22H16FN3O3/c1-13-4-2-5-15(12-13)25-21(28)18-19(27)17-6-3-11-24-20(17)26(22(18)29)16-9-7-14(23)8-10-16/h2-12,27H,1H3,(H,25,28)
InChIKeyFAOIEILGPSWFOD-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.79
Rot. Bonds3

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

1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54726940) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54726940
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C22H16FN3O3/c1-13-4-2-5-15(12-13)25-21(28)18-19(27)17-6-3-11-24-20(17)26(22(18)29)16-9-7-14(23)8-10-16/h2-12,27H,1H3,(H,25,28)
InChIKeyFAOIEILGPSWFOD-UHFFFAOYSA-N
XLogP3.79
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54726940) is 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1cccc(NC(=O)c2c(O)c3cccnc3n(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FAOIEILGPSWFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-13-4-2-5-15(12-13)25-21(28)18-19(27)17-6-3-11-24-20(17)26(22(18)29)16-9-7-14(23)8-10-16/h2-12,27H,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).