Basic information
- CAS
172469-96-4- Standard SMILES
Cc1cc(C)cc(Sc2c(N)c(=O)[nH]c3ccccc23)c1- InChIKey
GIVHIQBOULOWEA-UHFFFAOYSA-N- Molecular formula
- C17H16N2OS
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.09833431
Names & identifiers
- Preferred name
- 2(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-
- IUPAC
- 3-amino-4-(3,5-dimethylphenyl)sulfanyl-1H-quinolin-2-one
Names & synonyms
172469-96-42(1H)-Quinolinone, 3-amino-4-((3,5-dimethylphenyl)thio)-2(1H)-Quinolinone, 3-amino-4-[(3,5-dimethylphenyl)thio]-3-amino-4-(3,5-dimethylphenyl)sulfanyl-1H-quinolin-2-oneCHEMBL343067SCHEMBL8086596DTXSID601693093-NH-2-Quinolinone, 4-PhS deriv.3-Amino-4-[(3,5-dimethylphenyl)sulfanyl]quinolin-2(1H)-one
Database identifiers
- CAS
172469-96-4- PubChem CID
- 464584
- DTXSID
DTXSID60169309- ChEMBL
CHEMBL343067
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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