Basic information
- CAS
867162-39-8- Standard SMILES
O=C1c2ccccc2C(=O)N1C(c1ccc2ccc(-c3ccccc3)nc2c1)c1nccnc1Cl- InChIKey
NJURFYFVLMVDIE-UHFFFAOYSA-N- Molecular formula
- C28H17ClN4O2
- Average molar mass
- 476.9 g/mol
- Monoisotopic mass
- 476.1040035
Names & identifiers
- Preferred name
- 2-((3-Chloropyrazin-2-yl)(2-phenylquinolin-7-yl)methyl)isoindoline-1,3-dione
- IUPAC
- 2-[(3-chloropyrazin-2-yl)-(2-phenylquinolin-7-yl)methyl]isoindole-1,3-dione
- English name
- 2-((3-chloropyrazin-2-yl)(2-phenylquinolin-7-yl)Methyl)isoindoline-1,3-dione
- Molecular formula
- C28H17ClN4O2
- Molecular weight
- 476.91
Names & synonyms
2-((3-chloropyrazin-2-yl)(2-phenylquinolin-7-yl)methyl)isoindoline-1,3-dione867162-39-82-[(3-chloropyrazin-2-yl)-(2-phenylquinolin-7-yl)methyl]isoindole-1,3-dioneC28H17ClN4O2SCHEMBL400150NJURFYFVLMVDIE-UHFFFAOYSA-NDTXSID301131932CS-M1236MFCD31694205AKOS0376498882-[(3-chloropyrazin-2-yl)-(2-phenylquinolin-7-yl)-methyl]-isoindole-1,3-dioneCS-13835
Show more names
6-CHLORO-5-METHYL-1-(METHYLSULFONYL)-1H-INDOLE1H-Isoindole-1,3(2H)-dione, 2-[(3-chloro-2-pyrazinyl)(2-phenyl-7-quinolinyl)methyl]-
DB-2383642-[(3-Chloro-2-pyrazinyl)(2-phenyl-7-quinolinyl)methyl]-1H-isoindole-1,3(2H)-dione2-[(3-Chloro-pyrazin-2-yl)-(2-phenyl-quinolin-7-yl)-methyl]-isoindole-1,3-dione2-[(3-Chloropyrazin-2-yl)(2-phenylquinolin-7-yl)methyl]-1H-isoindole-1,3(2H)-dione2-[(3-chloropyrazin-2-yl)-(2-phenyl-7-quinolyl)methyl]isoindoline-1,3-dione
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 765
Physicochemical properties
- Boiling point
- 687.8 · 687.8±55.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.14(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
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Related reactions
15 records
Compound notes
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