2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one

C15H11FN2O2 — CID 123731180

IUPAC2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one
SMILESCc1c(Oc2ccc(F)cc2)[nH]c2cnccc2c1=O
InChIInChI=1S/C15H11FN2O2/c1-9-14(19)12-6-7-17-8-13(12)18-15(9)20-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyMYJXHCJXQZZVLH-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.16
Rot. Bonds2

About 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one

2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one (PubChem CID 123731180) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one
PubChem CID123731180
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one
SMILESCc1c(Oc2ccc(F)cc2)[nH]c2cnccc2c1=O
InChIInChI=1S/C15H11FN2O2/c1-9-14(19)12-6-7-17-8-13(12)18-15(9)20-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19)
InChIKeyMYJXHCJXQZZVLH-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one?
The IUPAC name of 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one (CID 123731180) is 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one?
The canonical SMILES for 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one is Cc1c(Oc2ccc(F)cc2)[nH]c2cnccc2c1=O.
What is the InChIKey of 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one?
The InChIKey is MYJXHCJXQZZVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-9-14(19)12-6-7-17-8-13(12)18-15(9)20-11-4-2-10(16)3-5-11/h2-8H,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one?
2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one has a molecular weight of 270.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-3-methyl-1H-1,7-naphthyridin-4-one is sourced from PubChem (CID 123731180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).