Ethanol, 2-((3-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)propyl)amino)-, dihydrochloride, hemihydrate
Basic information
- CAS
38915-26-3- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCO)c2n1.Cl.Cl- InChIKey
GCYQNNWNPBZQMT-UHFFFAOYSA-N- Molecular formula
- C18H23Cl3N4O2
- Average molar mass
- 433.8 g/mol
- Monoisotopic mass
- 432.088659
Names & identifiers
- Preferred name
- Ethanol, 2-((3-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)propyl)amino)-, dihydrochloride, hemihydrate
- IUPAC
- 2-[3-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]propylamino]ethanol;dihydrochloride
Names & synonyms
ICR 372OH38915-26-3Ethanol, 2-((3-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)propyl)amino)-, dihydrochloride, hemihydrateICR 372 OHDTXSID001921762-({3-[(7-Chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]propyl}amino)ethan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-26-3- PubChem CID
- 161983
- DTXSID
DTXSID00192176
Properties
Computed structural properties
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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