Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)nc(Cl)c1nc(SC)ncc12- InChIKey
KGPKLCIXRUGXLE-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O2S
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0182254
Names & identifiers
- Preferred name
- Methyl 5-chloro-3-(methylthio)pyrimido[4,5-c]quinoline-8-carboxylate
- IUPAC
- methyl 5-chloro-3-methylsulfanylpyrimido[4,5-c]quinoline-8-carboxylate
Names & synonyms
methyl 5-chloro-3-(methylthio)pyrimido[4,5-c]quinoline-8-carboxylateSCHEMBL629427KGPKLCIXRUGXLE-UHFFFAOYSA-NDB-3867861009827-12-6
Database identifiers
- PubChem CID
- 57500645
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
11 records
Compound notes
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