Basic information
- CAS
1361396-91-9- Standard SMILES
Nc1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc12- InChIKey
HWMSDNFONMZTMZ-AATRIKPKSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 4-Quinolinamine, 2-[(1E)-2-(5-nitro-2-furanyl)ethenyl]-
- IUPAC
- 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-amine
Names & synonyms
1361396-91-94-Quinolinamine, 2-[(1E)-2-(5-nitro-2-furanyl)ethenyl]-4-Quinolinamine, 2-((1E)-2-(5-nitro-2-furanyl)ethenyl)-RefChem:2962262-(2-(5-Nitro-2-furyl)vinyl)-4-quinolinamine2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-amineCHEMBL1237233HWMSDNFONMZTMZ-AATRIKPKSA-NDTXSID6012053082-[(E)-2-(5-Nitro-2-furyl)ethenyl]-4-quinolinylamine #
Database identifiers
- CAS
1361396-91-9- PubChem CID
- 5376830
- DTXSID
DTXSID601205308- ChEMBL
CHEMBL1237233- Nikkaji
- J1.402.283J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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