Basic information
- Standard SMILES
Cc1ccc(N2CCc3ncnc(Cl)c3C2)c(C#N)c1- InChIKey
IXSZZKVLACUSRM-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4
- Average molar mass
- 284.74 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile
- IUPAC
- 2-(4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-methylbenzonitrile
Names & synonyms
SCHEMBL2863803IXSZZKVLACUSRM-UHFFFAOYSA-N2-(4-Chloro-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile
Database identifiers
- PubChem CID
- 59840688
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Related reactions
44 records
Linked notes
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