2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

C16H13FN2O — CID 5468785

IUPAC2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3cccc(F)c3)[nH]c2n1
InChIInChI=1S/C16H13FN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJNJKKBAULISGAT-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.35
Rot. Bonds1

About 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one

2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (PubChem CID 5468785) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
PubChem CID5468785
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(C)c2c(=O)cc(-c3cccc(F)c3)[nH]c2n1
InChIInChI=1S/C16H13FN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyJNJKKBAULISGAT-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one (CID 5468785) is 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is Cc1cc(C)c2c(=O)cc(-c3cccc(F)c3)[nH]c2n1.
What is the InChIKey of 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
The InChIKey is JNJKKBAULISGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one?
2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one has a molecular weight of 268.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5468785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).