Ethyl 6-amino-9-(3-chlorobenzyl)-9H-beta-carboline-3-carboxylate

HCID 21883389
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Basic information

Standard SMILES
CCOC(=O)c1cc2c3cc(N)ccc3n(Cc3cccc(Cl)c3)c2cn1
InChIKey
PIKRHOPYQMXYBC-UHFFFAOYSA-N
Molecular formula
C21H18ClN3O2
Average molar mass
379.8 g/mol

Names & identifiers

Preferred name
Ethyl 6-amino-9-(3-chlorobenzyl)-9H-beta-carboline-3-carboxylate
IUPAC
ethyl 6-amino-9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

Names & synonyms

SCHEMBL5851322PIKRHOPYQMXYBC-UHFFFAOYSA-NEthyl 6-amino-9-(3-chlorobenzyl)-9H-beta-carboline-3-carboxylate

Database identifiers

PubChem CID
21883389

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
70.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

5 records
New reaction record

Compound notes

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