9-Propyl-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

HCID 89980680
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Basic information

Standard SMILES
CCCc1cccc2c1CCN1C(=O)CNC(=O)C=C21
InChIKey
LABMGXWBXDZZJP-UHFFFAOYSA-N
Molecular formula
C16H18N2O2
Average molar mass
270.33 g/mol
Monoisotopic mass
270.13682782

Names & identifiers

Preferred name
9-Propyl-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione
IUPAC
9-propyl-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

Names & synonyms

SCHEMBL15488582LABMGXWBXDZZJP-UHFFFAOYSA-N9-propyl-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

Database identifiers

PubChem CID
89980680

Properties

Computed structural properties

XLogP
2
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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