8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one

C19H17FN2OS — CID 91064050

IUPAC8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
SMILESCSc1cc(-c2ccc(F)cc2C)c2c[nH]c(=O)c(C3CC3)c2n1
InChIInChI=1S/C19H17FN2OS/c1-10-7-12(20)5-6-13(10)14-8-16(24-2)22-18-15(14)9-21-19(23)17(18)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,21,23)
InChIKeyKEQYJTRLTVDXAE-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.64
Rot. Bonds3

About 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one

8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one (PubChem CID 91064050) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
PubChem CID91064050
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
SMILESCSc1cc(-c2ccc(F)cc2C)c2c[nH]c(=O)c(C3CC3)c2n1
InChIInChI=1S/C19H17FN2OS/c1-10-7-12(20)5-6-13(10)14-8-16(24-2)22-18-15(14)9-21-19(23)17(18)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,21,23)
InChIKeyKEQYJTRLTVDXAE-UHFFFAOYSA-N
XLogP4.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluoro-2-methylphenyl)-7-oxo-8-propan-2-yl-6H-1,6-naphthyridin-2-yl]methanesulfonamide
CID 90934682
8-ethyl-4-(2-fluorophenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
CID 91454078
4-(2-fluorophenyl)-8-methyl-2-methylsulfanyl-6H-1,6-naphthyridin-7-one
CID 91517834

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The IUPAC name of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one (CID 91064050) is 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The canonical SMILES for 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one is CSc1cc(-c2ccc(F)cc2C)c2c[nH]c(=O)c(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
The InChIKey is KEQYJTRLTVDXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-10-7-12(20)5-6-13(10)14-8-16(24-2)22-18-15(14)9-21-19(23)17(18)11-3-4-11/h5-9,11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one?
8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one has a molecular weight of 340.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-6H-1,6-naphthyridin-7-one is sourced from PubChem (CID 91064050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).