Basic information
- CAS
96201-52-4- Standard SMILES
Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc(Cl)c2c1C(=O)O- InChIKey
ALBQBKQVMVZCOP-UHFFFAOYSA-N- Molecular formula
- C23H16ClNO2
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.08695643
Overview
S-8660 is the sodium salt
Names & identifiers
- Preferred name
- S 8660
- IUPAC
- 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid
- English name
- S 8660
- Molecular formula
- C23H16ClNO2
- Molecular weight
- 373.83
Names & synonyms
96201-52-4S 8660DTXSID70242172S-8660RefChem:180449DTXCID701646635-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid2-(1,1'-Biphenyl-4-yl)-5-chloro-3-methyl-4-quinolinecarboxylic acid sodium saltCHEMBL408462-(1,1'-BIPHENYL-4-YL)-5-CHLORO-3-METHYL-4-QUINOLINECARBOXYLIC ACIDorb1741263SCHEMBL8687492
Show more names
4-Quinolinecarboxylic acid, 2-[1,1'-biphenyl]-4-yl-5-chloro-3-methyl-
ALBQBKQVMVZCOP-UHFFFAOYSA-NBDBM502848462-([1,1'-biphenyl]-4-yl)-5-chloro-3-methylquinoline-4-carboxylic acidT682182-Biphenyl-4-yl-5-chloro-3-methyl-quinoline-4-carboxylic acid2-(1,1'-Biphenyl-4-yl)-5-chloro-3-methyl-quinoline-4-carboxylic acid2-(1,1'-Biphenyl-4-yl)-5-chloro-3-methylquinoline-4-carboxylic acid4-Quinolinecarboxylic acid, 2-(1,1'-biphenyl)-4-yl-5-chloro-3-methyl-
Database identifiers
- CAS
96201-52-4- PubChem CID
- 130331
- DTXSID
DTXSID70242172- ChEMBL
CHEMBL40846
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Applications
DescriptionS 8660 is an analogue of brequinar sodium that inhibits the pyrimidine biosynthetic pathway.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
2 records
Compound notes
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