8-Chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
Basic information
- CAS
37436-46-7- Standard SMILES
Nc1nc(N)c2c(n1)CCc1cc(Cl)ccc1-2- InChIKey
UYKSKDXJWWHFGJ-UHFFFAOYSA-N- Molecular formula
- C12H11ClN4
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0672241
Names & identifiers
- Preferred name
- 8-Chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
- IUPAC
- 8-chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
Names & synonyms
8-chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diaminePY 46837436-46-78-Chloro-5,6-dihydro-benzo(f)quinazoline-1,3-diamine8-Chloro-5,6-dihydro-benzo[f]quinazoline-1,3-diamineSCHEMBL8261591DTXSID50190884
Database identifiers
- CAS
37436-46-7- PubChem CID
- 485069
- DTXSID
DTXSID50190884- Nikkaji
- J1.265.701C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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