Basic information
- Standard SMILES
C[C@@H]1COCc2nc3c(N)nc4ccc(OCc5ccccc5)cc4c3n21- InChIKey
BPRYCANEHMXWOQ-CYBMUJFWSA-N- Molecular formula
- C21H20N4O2
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15862589
Names & identifiers
- Preferred name
- (11R)-2-(benzyloxy)-11-methyl-10,11-dihydro-8H-[1,4]oxazino[4',3':1,2]imidazo[4,5-c]quinolin-6-amine
- IUPAC
- (16R)-16-methyl-4-phenylmethoxy-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,11-hexaen-9-amine
Names & synonyms
SCHEMBL1773836BPRYCANEHMXWOQ-CYBMUJFWSA-N(11R)-2-(benzyloxy)-11-methyl-10,11-dihydro-8H-[1,4]oxazino[4',3':1,2]imidazo[4,5-c]quinolin-6-amine
Database identifiers
- PubChem CID
- 67156348
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
6 records
Compound notes
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