1-(4-methoxyphenyl)-N-(1-(3-oxo-4-phenylpiperazin-1-yl)isoquinolin-3-yl)cyclopropanecarboxamide

HCID 57733023
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Basic information

Standard SMILES
COc1ccc(C2(C(=O)Nc3cc4ccccc4c(N4CCN(c5ccccc5)C(=O)C4)n3)CC2)cc1
InChIKey
AYAUCBARBFPYHI-UHFFFAOYSA-N
Molecular formula
C30H28N4O3
Average molar mass
492.6 g/mol
Monoisotopic mass
492.21614077

Names & identifiers

Preferred name
1-(4-methoxyphenyl)-N-(1-(3-oxo-4-phenylpiperazin-1-yl)isoquinolin-3-yl)cyclopropanecarboxamide
IUPAC
1-(4-methoxyphenyl)-N-[1-(3-oxo-4-phenylpiperazin-1-yl)isoquinolin-3-yl]cyclopropane-1-carboxamide

Names & synonyms

SCHEMBL2926761AYAUCBARBFPYHI-UHFFFAOYSA-N1-(4-methoxyphenyl)-N-(1-(3-oxo-4-phenylpiperazin-1-yl)isoquinolin-3-yl)cyclopropanecarboxamide

Database identifiers

PubChem CID
57733023

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
74.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
37

Related reactions

1 records
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Compound notes

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