9-(3-Chloro-1-propyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-9H-beta-carboline

HCID 11067802
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Basic information

Standard SMILES
CCc1noc(-c2cc3c4ccccc4n(CCCCl)c3cn2)n1
InChIKey
BBHNDOULGIJHPE-UHFFFAOYSA-N
Molecular formula
C18H17ClN4O
Average molar mass
340.8 g/mol
Monoisotopic mass
340.1090889

Names & identifiers

Preferred name
9-(3-Chloro-1-propyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-9H-beta-carboline
IUPAC
5-[9-(3-chloropropyl)pyrido[3,4-b]indol-3-yl]-3-ethyl-1,2,4-oxadiazole

Names & synonyms

SCHEMBL7495366BBHNDOULGIJHPE-UHFFFAOYSA-N9-(3-Chloro-1-propyl)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-9H-beta-carboline

Database identifiers

PubChem CID
11067802

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
56.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

Related reactions

2 records
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Compound notes

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