BL 3849A
Basic information
- CAS
56476-51-8- Standard SMILES
Cc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1.Cl.Cl- InChIKey
JCWJDJQIOSMABY-UHFFFAOYSA-N- Molecular formula
- C18H27Cl2N5
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.1643513
Overview
RN given refers to di-HCl; structure
Names & identifiers
- Preferred name
- BL 3849A
- IUPAC
- N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;dihydrochloride
Names & synonyms
BL 3849A56476-51-8BL-3849A1,3-Propanediamine, N,N-dimethyl-N'-(1,3,7-trimethyl-1H-pyrazolo(3,4-b)quinolin-4-yl)-, dihydrochlorideRefChem:120585BL3849AN,N-Dimethyl-N'-(1,3,7-trimethyl-1H-pyrazolo(3,4-b)quinolin-4-yl)quinoline dihydrochlorideSCHEMBL11766546DTXSID30971890NSC 178827N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;dihydrochlorideN~1~,N~1~-Dimethyl-N~3~-(1,3,7-trimethyl-1H-pyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
56476-51-8- PubChem CID
- 198350
- DTXSID
DTXSID30971890
Properties
Computed structural properties
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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