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9-Chloro-3-methyl-5-piperidin-3-yl-[1,2]oxazolo[4,3-c]quinolin-4-one (HCID 21963713)|Huagongshe
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Compound
9-Chloro-3-methyl-5-piperidin-3-yl-[1,2]oxazolo[4,3-c]quinolin-4-one
HCID
21963713
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1onc2c1c(=O)n(C1CCCNC1)c1cccc(Cl)c21
InChIKey
WEURFTKLSAACOM-UHFFFAOYSA-N
Molecular formula
C16H16ClN3O2
Average molar mass
317.77 g/mol
Names & identifiers
Preferred name
9-Chloro-3-methyl-5-piperidin-3-yl-[1,2]oxazolo[4,3-c]quinolin-4-one
IUPAC
9-chloro-3-methyl-5-piperidin-3-yl-[1,2]oxazolo[4,3-c]quinolin-4-one
Database identifiers
PubChem CID
21963713
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
58.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
449
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Related reactions
5 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
183527
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
829950
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1203357
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1234622
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1546579
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes
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