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

C22H19FN2O2 — CID 90645515

IUPAC6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(COc3cccc(F)c3)nc2CCN1Cc1ccccc1
InChIInChI=1S/C22H19FN2O2/c23-17-7-4-8-19(13-17)27-15-18-9-10-20-21(24-18)11-12-25(22(20)26)14-16-5-2-1-3-6-16/h1-10,13H,11-12,14-15H2
InChIKeyLNWRCPWIKGWYIR-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.00
Rot. Bonds5

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

6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 90645515) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID90645515
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(COc3cccc(F)c3)nc2CCN1Cc1ccccc1
InChIInChI=1S/C22H19FN2O2/c23-17-7-4-8-19(13-17)27-15-18-9-10-20-21(24-18)11-12-25(22(20)26)14-16-5-2-1-3-6-16/h1-10,13H,11-12,14-15H2
InChIKeyLNWRCPWIKGWYIR-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
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-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 90645515) is 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(COc3cccc(F)c3)nc2CCN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is LNWRCPWIKGWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-17-7-4-8-19(13-17)27-15-18-9-10-20-21(24-18)11-12-25(22(20)26)14-16-5-2-1-3-6-16/h1-10,13H,11-12,14-15H2.
What are the key properties of 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 362.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(3-fluorophenoxy)methyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 90645515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).