2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline
Basic information
- CAS
5443-81-2- Standard SMILES
O=[N+]([O-])c1cc2ccccc2nc1-c1ccc2c(c1)OCO2- InChIKey
CKBLORQKODCHEW-UHFFFAOYSA-N- Molecular formula
- C16H10N2O4
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.0640568
Names & identifiers
- Preferred name
- 2-(1,3-Benzodioxol-5-yl)-3-nitroquinoline
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-3-nitroquinoline
Names & synonyms
2-(1,3-benzodioxol-5-yl)-3-nitroquinoline5443-81-2NSC19852DTXSID10281040NSC-19852DS-0129832-benzo[1,3]dioxol-5-yl-3-nitro-quinoline2-(2H-1,3-BENZODIOXOL-5-YL)-3-NITROQUINOLINE
Database identifiers
- CAS
5443-81-2- PubChem CID
- 227791
- DTXSID
DTXSID10281040
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
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Compound notes
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