3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one

C12H8Cl2FNO3 — CID 110273241

IUPAC3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)C(Cl)Cl)c(O)c2cc(F)ccc21
InChIInChI=1S/C12H8Cl2FNO3/c1-16-7-3-2-5(15)4-6(7)9(17)8(12(16)19)10(18)11(13)14/h2-4,11,17H,1H3
InChIKeyWPSYCZKTWGTRCJ-UHFFFAOYSA-N
MW304.10 g/mol
LogP2.37
Rot. Bonds2

About 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one

3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one (PubChem CID 110273241) has the molecular formula C12H8Cl2FNO3 and a molecular weight of 304.10 g/mol. Its IUPAC name is 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one
PubChem CID110273241
Molecular FormulaC12H8Cl2FNO3
Molecular Weight304.10 g/mol
Exact Mass302.99
IUPAC Name3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(=O)C(Cl)Cl)c(O)c2cc(F)ccc21
InChIInChI=1S/C12H8Cl2FNO3/c1-16-7-3-2-5(15)4-6(7)9(17)8(12(16)19)10(18)11(13)14/h2-4,11,17H,1H3
InChIKeyWPSYCZKTWGTRCJ-UHFFFAOYSA-N
XLogP2.37
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one
CID 110273245
3-(2,2-dichloroacetyl)-6-ethyl-4-hydroxy-1-methylquinolin-2-one
CID 110273242
1-(2-chloro-5-fluoro-1-methylindol-3-yl)ethanone
CID 82268767
methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 54712188
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
CID 56959690
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 123856404
4-ethyl-7-fluoro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 84633403
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one (CID 110273241) is 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(C(=O)C(Cl)Cl)c(O)c2cc(F)ccc21.
What is the InChIKey of 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is WPSYCZKTWGTRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO3/c1-16-7-3-2-5(15)4-6(7)9(17)8(12(16)19)10(18)11(13)14/h2-4,11,17H,1H3.
What are the key properties of 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one?
3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 304.10 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 110273241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).