2-benzyl-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
Basic information
- CAS
31384-38-0- Standard SMILES
O=c1cc2c(nn1Cc1ccccc1)-c1ccccc1CC2- InChIKey
RENLREMUAMZAKE-UHFFFAOYSA-N- Molecular formula
- C19H16N2O
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.12626314
Names & identifiers
- Preferred name
- 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
- IUPAC
- 2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-one
- English name
- 2-BENZYL-5,6-DIHYDROBENZO[H]CINNOLIN-3(2H)-ONE
- Molecular formula
- C19H16N2O
- Molecular weight
- 288.34
Names & synonyms
31384-38-02-benzyl-5,6-dihydrobenzo[h]cinnolin-3(2H)-one2-benzyl-2H,3H,5H,6H-benzo[h]cinnolin-3-one2-benzyl-5,6-dihydrobenzo[h]cinnolin-3-oneOprea1_108573MLS000720530CHEMBL1443667DTXSID001331731HMS2713D06AKOS005086455SMR0003360332R-1084
Show more names
Benzo[h]cinnolin-3(2H)-one, 5,6-dihydro-2-(phenylmethyl)-
Database identifiers
- CAS
31384-38-0- PubChem CID
- 1472489
- DTXSID
DTXSID001331731- ChEMBL
CHEMBL1443667
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
Solubility5.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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