Basic information
- CAS
76684-34-9- Standard SMILES
Cn1c(=O)c(N)cc2c(-c3ccccc3Cl)c(Cl)ccc21- InChIKey
CUHSUPOXQHQJPB-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N2O
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0326684
Overview
metabolite of peptido-aminobenzophenone; structure given in first source
Names & identifiers
- Preferred name
- Aminoquinolone
- IUPAC
- 3-amino-6-chloro-5-(2-chlorophenyl)-1-methylquinolin-2-one
- English name
- aminoquinolone
- Molecular formula
- C16H12Cl2N2O
- Molecular weight
- 319.19
Names & synonyms
Aminoquinolone76684-34-93-Amino-6-chloro-5-(2-chlorophenyl)-1-methylquinolin-2-one2(1H)-Quinolinone, 3-amino-6-chloro-5-(2-chlorophenyl)-1-methyl-RefChem:1120773-Amino-6-chloro-5-(2-chlorophenyl)-1-methylquinolin-2(1H)-one2(1H)-Quinolinone,3-amino-6-chloro-5-(2-chlorophenyl)-1-methyl-starbld0042035SCHEMBL30574986DTXSID50997996
Database identifiers
- CAS
76684-34-9- PubChem CID
- 170348
- DTXSID
DTXSID50997996
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 481 · 481.0±45.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- pka
- 3.38 · 3.38±0.20(Predicted)
Chemistry & industry
Applications
DescriptionAminoquinolone is a metabolite of peptido-aminobenzophenone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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