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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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).