8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one

C17H12ClFN2O2 — CID 101205316

IUPAC8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one
SMILESCC(=O)c1c(C)n(-c2ccccc2)c(=O)c2cc(F)c(Cl)nc12
InChIInChI=1S/C17H12ClFN2O2/c1-9-14(10(2)22)15-12(8-13(19)16(18)20-15)17(23)21(9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyLOTXLKKVYSRJQH-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.69
Rot. Bonds2

About 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one

8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one (PubChem CID 101205316) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one
PubChem CID101205316
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one
SMILESCC(=O)c1c(C)n(-c2ccccc2)c(=O)c2cc(F)c(Cl)nc12
InChIInChI=1S/C17H12ClFN2O2/c1-9-14(10(2)22)15-12(8-13(19)16(18)20-15)17(23)21(9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyLOTXLKKVYSRJQH-UHFFFAOYSA-N
XLogP3.69
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 67979466
5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one
CID 102210604
8-amino-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxylic acid
CID 67493384
3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
CID 54687627
2,6-bis(4-acetylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1097763
ethyl 7-chloro-3-methyl-1-oxo-2-phenyl-5H-pyrido[4,3-b]indole-4-carboxylate
CID 46702478
2-ethyl-7-fluoro-6-[(E)-3-oxobut-1-enyl]-3-phenylquinazolin-4-one
CID 170042705
3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
CID 10638735
methyl 4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
CID 6616536
3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 20791000
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
CID 165126064
1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone
CID 53308687

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one?
The IUPAC name of 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one (CID 101205316) is 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one.
What is the SMILES notation for 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one?
The canonical SMILES for 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one is CC(=O)c1c(C)n(-c2ccccc2)c(=O)c2cc(F)c(Cl)nc12.
What is the InChIKey of 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one?
The InChIKey is LOTXLKKVYSRJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-9-14(10(2)22)15-12(8-13(19)16(18)20-15)17(23)21(9)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one?
8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one has a molecular weight of 330.75 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-chloro-3-fluoro-7-methyl-6-phenyl-1,6-naphthyridin-5-one is sourced from PubChem (CID 101205316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).