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

C13H11Cl2NO3 — CID 110273245

IUPAC3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)c(O)c(C(=O)C(Cl)Cl)c(=O)n2C
InChIInChI=1S/C13H11Cl2NO3/c1-6-3-4-8-7(5-6)10(17)9(11(18)12(14)15)13(19)16(8)2/h3-5,12,17H,1-2H3
InChIKeyHIURVEFHNPBCHO-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.54
Rot. Bonds2

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

3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one (PubChem CID 110273245) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one
PubChem CID110273245
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one
SMILESCc1ccc2c(c1)c(O)c(C(=O)C(Cl)Cl)c(=O)n2C
InChIInChI=1S/C13H11Cl2NO3/c1-6-3-4-8-7(5-6)10(17)9(11(18)12(14)15)13(19)16(8)2/h3-5,12,17H,1-2H3
InChIKeyHIURVEFHNPBCHO-UHFFFAOYSA-N
XLogP2.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.54
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)-6-fluoro-4-hydroxy-1-methylquinolin-2-one
CID 110273241
3-(2,2-dichloroacetyl)-6-ethyl-4-hydroxy-1-methylquinolin-2-one
CID 110273242
methyl 2-[(4-hydroxy-1,6-dimethyl-2-oxoquinoline-3-carbonyl)amino]acetate
CID 143487152
1-(3-hydroxy-1,5-dimethylindol-2-yl)ethanone
CID 12511328
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
CID 54679961
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
3-[(3S)-3-amino-3-(2-hydroxyphenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747504
2-(4-fluorophenyl)-1,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide
CID 70105361
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
CID 82661041

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one?
The IUPAC name of 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one (CID 110273245) is 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one.
What is the SMILES notation for 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one?
The canonical SMILES for 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one is Cc1ccc2c(c1)c(O)c(C(=O)C(Cl)Cl)c(=O)n2C.
What is the InChIKey of 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one?
The InChIKey is HIURVEFHNPBCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-6-3-4-8-7(5-6)10(17)9(11(18)12(14)15)13(19)16(8)2/h3-5,12,17H,1-2H3.
What are the key properties of 3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one?
3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one has a molecular weight of 300.14 g/mol, XLogP of 2.54, 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)-4-hydroxy-1,6-dimethylquinolin-2-one is sourced from PubChem (CID 110273245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).