3-Amino-6-nitro-4-phenyl-1H-quinolin-2-one
Basic information
- CAS
36020-93-6- Standard SMILES
Nc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O- InChIKey
VBAGZJBCMMYDQZ-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.08004122
Names & identifiers
- Preferred name
- 3-Amino-6-nitro-4-phenyl-1H-quinolin-2-one
- IUPAC
- 3-amino-6-nitro-4-phenyl-1H-quinolin-2-one
- English name
- 2(1H)-Quinolinone, 3-amino-6-nitro-4-phenyl-
- Molecular formula
- C15H11N3O3
- Molecular weight
- 281.27
Names & synonyms
36020-93-63-Amino-6-nitro-4-phenyl-1H-quinolin-2-oneDTXSID90418817RefChem:276584DTXCID00369664VBAGZJBCMMYDQZ-UHFFFAOYSA-NNitrazepam EP Impurity A3-Amino-6-nitro-4-phenylquinolin-2(1H)-one3-Amino-6-nitro-4-phenyl-2(H)-quinolinone3-Amino-6-nitro-4-phenylquinolin-2(1H)-one; Nitrazepam Imp. A (EP); Nitrazepam Impurity A2(1H)-Quinolinone, 3-amino-6-nitro-4-phenyl-SCHEMBL32665949
Show more names
Nitrazepam Impurity 1
Nitrazepam EP Impurity AAKOS0333461823-Amino-6-nitro-4-phenyl-2(1H)-quinolinone #Z1443586005
Database identifiers
- CAS
36020-93-6- PubChem CID
- 5378140
- DTXSID
DTXSID90418817- EC Number
- 641-698-2
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Melting point
- 330 °C · 330 °C (decomp)
- Boiling point
- 540.4 · 540.4±50.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.35 · 9.35±0.70(Predicted)
- color
- Orange
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Chemistry & industry
Applications
Uses3-Amino-6-nitro-4-phenyl-2(H)-quinolinone is a chemical reagent used in the preparation of 3-aminoquinolin-2-one derivatives as ways to stave off parasitic infections like leishmaniasis and trypanosomiasis. Nitrazepam (N490140), impurity.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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