4-(1-Ethyl-1H-quinolin-2-ylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
Basic information
- CAS
71811-83-1- Standard SMILES
CCN1/C(=C2\C(=O)N(c3ccccc3)N=C2C)C=Cc2ccccc21- InChIKey
LBCBLMHAHZYOKU-VXPUYCOJSA-N- Molecular formula
- C21H19N3O
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.15281224
Names & identifiers
- Preferred name
- 4-(1-Ethyl-1H-quinolin-2-ylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
- IUPAC
- (4Z)-4-(1-ethylquinolin-2-ylidene)-5-methyl-2-phenylpyrazol-3-one
Names & synonyms
(4Z)-4-(1-ethylquinolin-2(1H)-ylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-oneHMS1475D20STK373660AKOS0016036574-(1-Ethyl-1H-quinolin-2-ylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-oneIDI1_019756ST50561861SR-01000414411SR-01000414411-1BRD-K96797852-001-01-84-(1-ethyl(2-hydroquinolylidene))-3-methyl-1-phenyl-1,2-diazolin-5-one4-[(2Z)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
Database identifiers
- CAS
71811-83-1- PubChem CID
- 3095758
- EC Number
- 163-530-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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