2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one

C20H14FN3O2 — CID 141351985

IUPAC2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one
SMILESO=c1c2c(-c3cncc(F)c3)ncc(O)c2ccn1Cc1ccccc1
InChIInChI=1S/C20H14FN3O2/c21-15-8-14(9-22-10-15)19-18-16(17(25)11-23-19)6-7-24(20(18)26)12-13-4-2-1-3-5-13/h1-11,25H,12H2
InChIKeyRDCLYEPCUGGJAZ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.35
Rot. Bonds3

About 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one

2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one (PubChem CID 141351985) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one
PubChem CID141351985
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one
SMILESO=c1c2c(-c3cncc(F)c3)ncc(O)c2ccn1Cc1ccccc1
InChIInChI=1S/C20H14FN3O2/c21-15-8-14(9-22-10-15)19-18-16(17(25)11-23-19)6-7-24(20(18)26)12-13-4-2-1-3-5-13/h1-11,25H,12H2
InChIKeyRDCLYEPCUGGJAZ-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one?
The IUPAC name of 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one (CID 141351985) is 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one?
The canonical SMILES for 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one is O=c1c2c(-c3cncc(F)c3)ncc(O)c2ccn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one?
The InChIKey is RDCLYEPCUGGJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c21-15-8-14(9-22-10-15)19-18-16(17(25)11-23-19)6-7-24(20(18)26)12-13-4-2-1-3-5-13/h1-11,25H,12H2.
What are the key properties of 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one?
2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one has a molecular weight of 347.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(5-fluoro-3-pyridinyl)-5-hydroxy-2,7-naphthyridin-1-one is sourced from PubChem (CID 141351985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).