Basic information
- CAS
202821-40-7- Standard SMILES
O=C(c1ccccc1Br)N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)CC1c1ccco1- InChIKey
QCWDMJBSHYQNKM-UHFFFAOYSA-N- Molecular formula
- C29H19Br2N3O3
- Average molar mass
- 617.3 g/mol
- Monoisotopic mass
- 614.97932
Names & identifiers
- Preferred name
- 6-Bromo-3-(1-(2-bromobenzoyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one
- IUPAC
- 6-bromo-3-[2-(2-bromobenzoyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
Names & synonyms
6-Bromo-3-(1-(2-bromobenzoyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-oneSTL045095AKOS005698312AKOS024303843202821-40-7ST50216910[3-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl](2-bromophenyl)methanone6-BR-3-(1-(2-BR-BZ)-5-FURAN-2-YL-4,5-2H-1H-PYRAZOL-3-YL)-4-PH-1H-QUINOLIN-2-ONE6-bromo-3-{1-[(2-bromophenyl)carbonyl]-5-(2-furyl)(2-pyrazolin-3-yl)}-4-phenyl hydroquinolin-2-one
Database identifiers
- CAS
202821-40-7- PubChem CID
- 3091007
- EC Number
- 119-579-7
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 962
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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