N-(1-{5-chloro-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinolin-7-yl}ethyl)-9H-purine-6-amine
Basic information
- Standard SMILES
COC[C@H]1CCCN1c1c(C(C)Nc2ncnc3[nH]cnc23)cc(Cl)c2cccnc12- InChIKey
RMMMUBKNWGHXCN-ARLHGKGLSA-N- Molecular formula
- C22H24ClN7O
- Average molar mass
- 437.9 g/mol
- Monoisotopic mass
- 437.1730861
Names & identifiers
- Preferred name
- N-(1-{5-chloro-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinolin-7-yl}ethyl)-9H-purine-6-amine
- IUPAC
- N-[1-[5-chloro-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinolin-7-yl]ethyl]-7H-purin-6-amine
Names & synonyms
SCHEMBL2013776RMMMUBKNWGHXCN-ARLHGKGLSA-NN-(1-{5-chloro-8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]quinolin-7-yl}ethyl)-9H-purine-6-amine
Database identifiers
- PubChem CID
- 58368610
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 600
Related reactions
1 records
Compound notes
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