Basic information
- CAS
662167-17-1- Standard SMILES
CNC1=C(Cl)C(=O)c2ccncc2C1=O- InChIKey
YIDGULDOJYFHGX-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- Caulibugulone C
- IUPAC
- 6-chloro-7-(methylamino)isoquinoline-5,8-dione
Names & synonyms
Caulibugulone C6-chloro-7-(methylamino)isoquinoline-5,8-dione662167-17-1DTXSID70274377RefChem:124029DTXCID40225856UPCMLD00WCaulibugCNCGC00092054-01CHEMBL445969CMLD4_000087NSC731585NSC-731585
Show more names
SDCCGMLS-0091594.P001
Database identifiers
- CAS
662167-17-1- PubChem CID
- 2597
- DTXSID
DTXSID70274377- ChEMBL
CHEMBL445969- Nikkaji
- J2.007.138I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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