8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one

C17H15FN2OS — CID 91454078

IUPAC8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
SMILESCCc1c(=O)[nH]cc2c(-c3ccccc3F)cc(SC)nc12
InChIInChI=1S/C17H15FN2OS/c1-3-10-16-13(9-19-17(10)21)12(8-15(20-16)22-2)11-6-4-5-7-14(11)18/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyXNNNMRVKGBJNPF-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.01
Rot. Bonds3

About 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one

8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one (PubChem CID 91454078) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
PubChem CID91454078
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC Name8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
SMILESCCc1c(=O)[nH]cc2c(-c3ccccc3F)cc(SC)nc12
InChIInChI=1S/C17H15FN2OS/c1-3-10-16-13(9-19-17(10)21)12(8-15(20-16)22-2)11-6-4-5-7-14(11)18/h4-9H,3H2,1-2H3,(H,19,21)
InChIKeyXNNNMRVKGBJNPF-UHFFFAOYSA-N
XLogP4.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
CID 91064050
4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
CID 91517834
2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-5-[(2-oxo-1H-pyrimidin-5-yl)methyl]-1H-pyrimidin-6-one
CID 136417332
(2Z,4E,5Z)-2-(4-fluorophenyl)-N-methyl-3-(methylamino)-4-[(E)-2-methyl-1-methylsulfanylbut-1-enyl]iminohepta-2,5-dienamide
CID 142809938

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The IUPAC name of 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one (CID 91454078) is 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one is CCc1c(=O)[nH]cc2c(-c3ccccc3F)cc(SC)nc12.
What is the InChIKey of 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The InChIKey is XNNNMRVKGBJNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-3-10-16-13(9-19-17(10)21)12(8-15(20-16)22-2)11-6-4-5-7-14(11)18/h4-9H,3H2,1-2H3,(H,19,21).
What are the key properties of 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one has a molecular weight of 314.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 91454078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).