3-(3-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoyl chloride

HCID 57733019
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Basic information

Standard SMILES
O=C(Cl)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)c1
InChIKey
ODBTUSBWSNYABA-UHFFFAOYSA-N
Molecular formula
C27H17ClF2N2O4
Average molar mass
506.9 g/mol
Monoisotopic mass
506.084491

Names & identifiers

Preferred name
3-(3-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoyl chloride
IUPAC
3-[3-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]isoquinolin-1-yl]benzoyl chloride

Names & synonyms

3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoyl chlorideSCHEMBL4169965

Database identifiers

PubChem CID
57733019

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
77.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
36

Related reactions

8 records
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Compound notes

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