Basic information
- CAS
1171310-18-1- Standard SMILES
Cc1cc(-c2ccc(S(=O)(=O)NCCC(=O)O)cc2)nc2ccccc12- InChIKey
BJDCQGFOVZBCAI-UHFFFAOYSA-N- Molecular formula
- C19H18N2O4S
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.09872823
Names & identifiers
- Preferred name
- N-[4-(4-Methylquinolin-2-yl)benzene-1-sulfonyl]-beta-alanine
- IUPAC
- 3-[[4-(4-methylquinolin-2-yl)phenyl]sulfonylamino]propanoic acid
Names & synonyms
DTXSID1012043171171310-18-1N-[[4-(4-Methyl-2-quinolinyl)phenyl]sulfonyl]-I(2)-alanineN-[4-(4-Methylquinolin-2-yl)benzene-1-sulfonyl]-beta-alanine
Database identifiers
- CAS
1171310-18-1- PubChem CID
- 25751284
- DTXSID
DTXSID101204317
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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