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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(5-fluoro-3-pyridinyl)-4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxylate
CID 174704666
6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid
CID 141445682
5-hydroxy-3-phenyl-1-(2-phenylethyl)-8-pyridin-3-yl-1,7-naphthyridin-2-one
CID 141351889
2-benzyl-6-(4-hydroxyphenyl)isoquinolin-1-one
CID 171782193
1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
CID 90073694
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
2-[(4-fluorophenyl)methyl]isoquinolin-1-one
CID 9354445
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 58252389
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959

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).