1,3-Propanediamine, N-(2-chloroethyl)-N'-(6-methoxy-4-quinolinyl)-, dihydrochloride
Basic information
- CAS
38925-90-5- Standard SMILES
COc1ccc2nccc(NCCCNCCCl)c2c1.Cl.Cl- InChIKey
NONYHNSUNYIEJM-UHFFFAOYSA-N- Molecular formula
- C15H22Cl3N3O
- Average molar mass
- 366.7 g/mol
- Monoisotopic mass
- 365.082845
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(2-chloroethyl)-N'-(6-methoxy-4-quinolinyl)-, dihydrochloride
- IUPAC
- N-(2-chloroethyl)-N'-(6-methoxyquinolin-4-yl)propane-1,3-diamine;dihydrochloride
Names & synonyms
ICR 1801,3-Propanediamine, N-(2-chloroethyl)-N'-(6-methoxy-4-quinolinyl)-, dihydrochlorideDTXSID601922134-((3-((2-Chloroethyl)amino)propyl)amino)-6-methoxyquinoline dihydrochlorideQuinoline, 4-((3-((2-chloroethyl)amino)propyl)amino)-6-methoxy-, dihydrochlorideRefChem:219510DTXCID7011470438925-90-5N~1~-(2-Chloroethyl)-N~3~-(6-methoxyquinolin-4-yl)propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
38925-90-5- PubChem CID
- 148291
- DTXSID
DTXSID60192213
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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