6-benzylamino-3,4-dihydro-2H-isoquinolin-1-one

HCID 67223915
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Basic information

Standard SMILES
O=C1NCCc2cc(NCc3ccccc3)ccc21
InChIKey
COVVWOZYZJPRTI-UHFFFAOYSA-N
Molecular formula
C16H16N2O
Average molar mass
252.31 g/mol
Monoisotopic mass
252.12626314

Names & identifiers

Preferred name
6-benzylamino-3,4-dihydro-2H-isoquinolin-1-one
IUPAC
6-(benzylamino)-3,4-dihydro-2H-isoquinolin-1-one

Names & synonyms

6-benzylamino-3,4-dihydro-2H-isoquinolin-1-oneSCHEMBL1951410COVVWOZYZJPRTI-UHFFFAOYSA-N1256961-27-9DB-124194

Database identifiers

PubChem CID
67223915

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19

Related reactions

7 records
New reaction record

Linked notes

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