3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one

C18H16F2N2O — CID 163211157

IUPAC3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one
SMILESCc1ccc(F)c(-n2cc(C(C)C)c3ncc(F)cc3c2=O)c1
InChIInChI=1S/C18H16F2N2O/c1-10(2)14-9-22(16-6-11(3)4-5-15(16)20)18(23)13-7-12(19)8-21-17(13)14/h4-10H,1-3H3
InChIKeyPTEFYRWVYDUELD-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.10
Rot. Bonds2

About 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one

3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one (PubChem CID 163211157) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one
PubChem CID163211157
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one
SMILESCc1ccc(F)c(-n2cc(C(C)C)c3ncc(F)cc3c2=O)c1
InChIInChI=1S/C18H16F2N2O/c1-10(2)14-9-22(16-6-11(3)4-5-15(16)20)18(23)13-7-12(19)8-21-17(13)14/h4-10H,1-3H3
InChIKeyPTEFYRWVYDUELD-UHFFFAOYSA-N
XLogP4.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
The IUPAC name of 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one (CID 163211157) is 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
The canonical SMILES for 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one is Cc1ccc(F)c(-n2cc(C(C)C)c3ncc(F)cc3c2=O)c1.
What is the InChIKey of 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
The InChIKey is PTEFYRWVYDUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-10(2)14-9-22(16-6-11(3)4-5-15(16)20)18(23)13-7-12(19)8-21-17(13)14/h4-10H,1-3H3.
What are the key properties of 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one?
3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one has a molecular weight of 314.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(2-fluoro-5-methylphenyl)-8-propan-2-yl-1,6-naphthyridin-5-one is sourced from PubChem (CID 163211157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).