Basic information
- CAS
38915-32-1- Standard SMILES
COc1ccc2nc3cc(Cl)ccc3c(NCCNCC(C)Cl)c2n1.Cl.Cl- InChIKey
UTTDFMSMTGCGOV-UHFFFAOYSA-N- Molecular formula
- C18H22Cl4N4O
- Average molar mass
- 452.2 g/mol
- Monoisotopic mass
- 450.054772
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-N'-(2-chloropropyl)-, dihydrochloride
- IUPAC
- N'-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N-(2-chloropropyl)ethane-1,2-diamine;dihydrochloride
Names & synonyms
ICR 4381,2-Ethanediamine, N-(7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)-N'-(2-chloropropyl)-, dihydrochloride38915-32-1RefChem:216301DTXSID809597242-Chloro-N-{2-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10(5H)-ylidene)amino]ethyl}propan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
38915-32-1- PubChem CID
- 217481
- DTXSID
DTXSID80959724
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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