1-(1,3-benzodioxol-5-yl)-3-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}urea

HCID 16717878
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Basic information

Standard SMILES
CN(C)CCN1C(=O)c2cccc3cc4cccc(NC(=O)Nc5ccc6c(c5)OCO6)c4c(c23)C1=O
InChIKey
OOUIQXXUHVUNJR-UHFFFAOYSA-N
Molecular formula
C28H24N4O5
Average molar mass
496.5 g/mol

Names & identifiers

Preferred name
1-(1,3-benzodioxol-5-yl)-3-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}urea
IUPAC
1-(1,3-benzodioxol-5-yl)-3-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-3-yl]urea

Names & synonyms

SCHEMBL3303149OOUIQXXUHVUNJR-UHFFFAOYSA-N1-(1,3-benzodioxol-5-yl)-3-{2-[2-(dimethylamino)ethyl]-1,3-dioxo-2,3-dihydro-1H-dibenzo[de,h]isoquinolin-11-yl}urea

Database identifiers

PubChem CID
16717878

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
37

Related reactions

2 records
New reaction record

Linked notes

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