7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one

C21H15FN2O — CID 102113901

IUPAC7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESO=c1nc(-c2ccc(F)cc2)cc2ccn(Cc3ccccc3)cc1-2
InChIInChI=1S/C21H15FN2O/c22-18-8-6-16(7-9-18)20-12-17-10-11-24(14-19(17)21(25)23-20)13-15-4-2-1-3-5-15/h1-12,14H,13H2
InChIKeyCJARICIKZDENMQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.20
Rot. Bonds3

About 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one

7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one (PubChem CID 102113901) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one
PubChem CID102113901
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESO=c1nc(-c2ccc(F)cc2)cc2ccn(Cc3ccccc3)cc1-2
InChIInChI=1S/C21H15FN2O/c22-18-8-6-16(7-9-18)20-12-17-10-11-24(14-19(17)21(25)23-20)13-15-4-2-1-3-5-15/h1-12,14H,13H2
InChIKeyCJARICIKZDENMQ-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The IUPAC name of 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one (CID 102113901) is 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one is O=c1nc(-c2ccc(F)cc2)cc2ccn(Cc3ccccc3)cc1-2.
What is the InChIKey of 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The InChIKey is CJARICIKZDENMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-18-8-6-16(7-9-18)20-12-17-10-11-24(14-19(17)21(25)23-20)13-15-4-2-1-3-5-15/h1-12,14H,13H2.
What are the key properties of 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one?
7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one has a molecular weight of 330.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(4-fluorophenyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 102113901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).