Basic information
- CAS
445021-05-6- Standard SMILES
O=C(NN=Cc1ccccc1I)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12- InChIKey
GPJLNBRKIQVJKF-UHFFFAOYSA-N- Molecular formula
- C24H16IN3O3
- Average molar mass
- 521.3 g/mol
Names & identifiers
- Preferred name
- 2-(1,3-benzodioxol-5-yl)-N-[(2-iodophenyl)methylideneamino]quinoline-4-carboxamide
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-N-[(2-iodophenyl)methylideneamino]quinoline-4-carboxamide
- English name
- 2-(1,3-benzodioxol-5-yl)-N'-(2-iodobenzylidene)-4-quinolinecarbohydrazide
- Molecular formula
- C24H16IN3O3
- Molecular weight
- 521.31
Names & synonyms
2-(1,3-benzodioxol-5-yl)-N'-(2-iodobenzylidene)-4-quinolinecarbohydrazide4-Quinolinecarboxylic acid, 2-(1,3-benzodioxol-5-yl)-, 2-[(2-iodophenyl)methylene]hydrazide
Database identifiers
- CAS
445021-05-6
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 10.69 · 10.69±0.46(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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