Basic information
- CAS
60512-87-0- Standard SMILES
CNn1cnc2ccc(Cl)cc2c1=O- InChIKey
AKUDUFUCQRTQSZ-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0355896
Names & identifiers
- Preferred name
- 6-Chloro-3-(methylamino)quinazolin-4(3H)-one
- IUPAC
- 6-chloro-3-(methylamino)quinazolin-4-one
Names & synonyms
6-Chloro-3-(methylamino)quinazolin-4(3H)-one60512-87-06-chloro-3-(methylamino)-3,4-dihydroquinazolin-4-oneDTXSID60821995
Database identifiers
- CAS
60512-87-0- PubChem CID
- 71400751
- DTXSID
DTXSID60821995
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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