1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(3-oxoisoindolin-5-yl)isoquinolin-3-yl)cyclopropanecarboxamide

HCID 57733013
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Basic information

Standard SMILES
O=C1NCc2ccc(-c3nc(NC(=O)C4(c5ccc6c(c5)OC(F)(F)O6)CC4)cc4ccccc34)cc21
InChIKey
QTCBUKOCFUKCHL-UHFFFAOYSA-N
Molecular formula
C28H19F2N3O4
Average molar mass
499.5 g/mol
Monoisotopic mass
499.13436242

Names & identifiers

Preferred name
1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(3-oxoisoindolin-5-yl)isoquinolin-3-yl)cyclopropanecarboxamide
IUPAC
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(3-oxo-1,2-dihydroisoindol-5-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide

Names & synonyms

1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(3-oxoisoindolin-5-yl)isoquinolin-3-yl)cyclopropanecarboxamideSCHEMBL4169547

Database identifiers

PubChem CID
57733013

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
89.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
37

Related reactions

4 records
New reaction record

Linked notes

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