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

C16H13FN2OS — CID 91517834

IUPAC4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
SMILESCSc1cc(-c2ccccc2F)c2c[nH]c(=O)c(C)c2n1
InChIInChI=1S/C16H13FN2OS/c1-9-15-12(8-18-16(9)20)11(7-14(19-15)21-2)10-5-3-4-6-13(10)17/h3-8H,1-2H3,(H,18,20)
InChIKeyYMFKRUSOCFPHCA-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.76
Rot. Bonds2

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

4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one (PubChem CID 91517834) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
PubChem CID91517834
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
SMILESCSc1cc(-c2ccccc2F)c2c[nH]c(=O)c(C)c2n1
InChIInChI=1S/C16H13FN2OS/c1-9-15-12(8-18-16(9)20)11(7-14(19-15)21-2)10-5-3-4-6-13(10)17/h3-8H,1-2H3,(H,18,20)
InChIKeyYMFKRUSOCFPHCA-UHFFFAOYSA-N
XLogP3.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.76
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
8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
CID 91454078
(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 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The IUPAC name of 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one (CID 91517834) is 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one is CSc1cc(-c2ccccc2F)c2c[nH]c(=O)c(C)c2n1.
What is the InChIKey of 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The InChIKey is YMFKRUSOCFPHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-9-15-12(8-18-16(9)20)11(7-14(19-15)21-2)10-5-3-4-6-13(10)17/h3-8H,1-2H3,(H,18,20).
What are the key properties of 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one has a molecular weight of 300.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 91517834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).