6-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
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Basic information
- CAS
307330-09-2- Standard SMILES
CCOc1ccc2cc(C=CC(=O)c3c(-c4ccccc4)c4cc(Br)ccc4[nH]c3=O)c(Cl)nc2c1- InChIKey
BUXUOSFXEORXCU-UHFFFAOYSA-N- Molecular formula
- C29H20BrClN2O3
- Average molar mass
- 559.8 g/mol
- Monoisotopic mass
- 558.03458
Names & identifiers
- Preferred name
- 6-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
- IUPAC
- 6-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
- English name
- 6-bromo-3-[3-(2-chloro-7-ethoxy-3-quinolinyl)acryloyl]-4-phenyl-2(1H)-quinolinone
- Molecular formula
- C29H20BrClN2O3
- Molecular weight
- 559.84
Names & synonyms
SCHEMBL64815166-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one6-bromo-3-[3-(2-chloro-7-ethoxy-3-quinolinyl)acryloyl]-4-phenyl-2(1H)-quinolinone
Database identifiers
- CAS
307330-09-2- PubChem CID
- 3095084
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 886
Physicochemical properties
- Boiling point
- 740.925 · 740.925±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.48 · 1.480±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.041 · 9.041±0.70(predicted)
Related reactions
0 records
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Compound notes
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