2-[[2-[(4-Pyridylmethyl)amino]ethyl]amino]-1,4-naphthoquinone
Basic information
- CAS
35211-17-7- Standard SMILES
O=C1C=C(NCCNCc2ccncc2)C(=O)c2ccccc21- InChIKey
ORWPAVVGEQOCJK-UHFFFAOYSA-N- Molecular formula
- C18H17N3O2
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.13207679
Names & identifiers
- Preferred name
- 2-[[2-[(4-Pyridylmethyl)amino]ethyl]amino]-1,4-naphthoquinone
- IUPAC
- 2-[2-(pyridin-4-ylmethylamino)ethylamino]naphthalene-1,4-dione
Names & synonyms
35211-17-7NSC193693DTXSID80307660ORWPAVVGEQOCJK-UHFFFAOYSA-N2-[[2-[(4-Pyridylmethyl)amino]ethyl]amino]-1,4-naphthoquinoneNSC-1936932-((2-[(4-Pyridinylmethyl)amino]ethyl)amino)naphthoquinone #2-[(2-{[(Pyridin-4-yl)methyl]amino}ethyl)amino]naphthalene-1,4-dione
Database identifiers
- CAS
35211-17-7- PubChem CID
- 303871
- DTXSID
DTXSID80307660
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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