6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one

C21H17FN2O2 — CID 90645521

IUPAC6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(COc3ccccc3)nc2CCN1c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-15-6-9-17(10-7-15)24-13-12-20-19(21(24)25)11-8-16(23-20)14-26-18-4-2-1-3-5-18/h1-11H,12-14H2
InChIKeyZGDYNIFWSYGQCF-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.00
Rot. Bonds4

About 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one

6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 90645521) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID90645521
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(COc3ccccc3)nc2CCN1c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-15-6-9-17(10-7-15)24-13-12-20-19(21(24)25)11-8-16(23-20)14-26-18-4-2-1-3-5-18/h1-11H,12-14H2
InChIKeyZGDYNIFWSYGQCF-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 90645521) is 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(COc3ccccc3)nc2CCN1c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is ZGDYNIFWSYGQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-15-6-9-17(10-7-15)24-13-12-20-19(21(24)25)11-8-16(23-20)14-26-18-4-2-1-3-5-18/h1-11H,12-14H2.
What are the key properties of 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one?
6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 348.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(phenoxymethyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 90645521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).