2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one

C19H21FN2O2 — CID 90645518

IUPAC2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC(C)CN1CCc2nc(COc3cccc(F)c3)ccc2C1=O
InChIInChI=1S/C19H21FN2O2/c1-13(2)11-22-9-8-18-17(19(22)23)7-6-15(21-18)12-24-16-5-3-4-14(20)10-16/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyGLHZUJWINWMGLK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.45
Rot. Bonds5

About 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one

2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 90645518) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID90645518
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC(C)CN1CCc2nc(COc3cccc(F)c3)ccc2C1=O
InChIInChI=1S/C19H21FN2O2/c1-13(2)11-22-9-8-18-17(19(22)23)7-6-15(21-18)12-24-16-5-3-4-14(20)10-16/h3-7,10,13H,8-9,11-12H2,1-2H3
InChIKeyGLHZUJWINWMGLK-UHFFFAOYSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 90645518) is 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one is CC(C)CN1CCc2nc(COc3cccc(F)c3)ccc2C1=O.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is GLHZUJWINWMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13(2)11-22-9-8-18-17(19(22)23)7-6-15(21-18)12-24-16-5-3-4-14(20)10-16/h3-7,10,13H,8-9,11-12H2,1-2H3.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 328.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-6-(2-methylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 90645518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).