Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)nc(-c1ccccc1)c1nc(SC)ncc12- InChIKey
YPDRWIVEUCVXRR-UHFFFAOYSA-N- Molecular formula
- C20H15N3O2S
- Average molar mass
- 361.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(methylthio)-5-phenylpyrimido[4,5-c]quinoline-8-carboxylate
- IUPAC
- methyl 3-methylsulfanyl-5-phenylpyrimido[4,5-c]quinoline-8-carboxylate
Names & synonyms
SCHEMBL1450481YPDRWIVEUCVXRR-UHFFFAOYSA-Nmethyl 3-(methylthio)-5-phenylpyrimido[4,5-c]quinoline-8-carboxylate
Database identifiers
- PubChem CID
- 25252839
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
Related reactions
2 records
Compound notes
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