Benzo(f)quinazoline-1,3-diamine, 9-chloro-
Basic information
- CAS
37521-56-5- Standard SMILES
Nc1nc(N)c2c(ccc3ccc(Cl)cc32)n1- InChIKey
YLALQNZRNZTGHV-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4
- Average molar mass
- 244.68 g/mol
- Monoisotopic mass
- 244.051574
Names & identifiers
- Preferred name
- Benzo(f)quinazoline-1,3-diamine, 9-chloro-
- IUPAC
- 9-chlorobenzo[f]quinazoline-1,3-diamine
- English name
- 9-Chlorobenzo[f]quinazoline-1,3-diamine
- Molecular weight
- 0
Names & synonyms
9-chlorobenzo[f]quinazoline-1,3-diaminePY 490Benzo(f)quinazoline-1,3-diamine, 9-chloro-37521-56-5MHT2YUU7MD1,3-Diamino-9-chlorobenzo(f)quinazolineUNII-MHT2YUU7MDNSC 137191NSC137191NSC-1371911,3-Diamino-9-chlorobenzo[f]quinazolineBenzo[f]quinazoline-1,3-diamine, 9-chloro-
Show more names
PY-490CHEMBL1213685SCHEMBL30268652DTXSID50190965DS-010346
Database identifiers
- CAS
37521-56-5- PubChem CID
- 283017
- DTXSID
DTXSID50190965- ChEMBL
CHEMBL1213685- UNII
- MHT2YUU7MD
- Nikkaji
- J395.122G
Properties
Computed structural properties
- XLogP
- 2.7
- 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
Physicochemical properties
- FDA UNII
- 2 YUU7MD · MHT2YUU7MD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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