ethyl 6-chloro-4-(phenylselanyl)quinoline-2-carboxylate

ID: ALA4646292

PubChem CID: 156019239

Max Phase: Preclinical

Molecular Formula: C18H14ClNO2Se

Molecular Weight: 390.73

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCOC(=O)c1cc([Se]c2ccccc2)c2cc(Cl)ccc2n1

Standard InChI:  InChI=1S/C18H14ClNO2Se/c1-2-22-18(21)16-11-17(23-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-16/h3-11H,2H2,1H3

Standard InChI Key:  IABMDKSNYILNHB-UHFFFAOYSA-N

Molfile:  

 
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   39.1742  -23.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1731  -24.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8811  -24.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8793  -23.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5880  -23.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5887  -24.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2973  -24.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0055  -24.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0008  -23.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2917  -23.1815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.2990  -25.6350    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
   42.0075  -26.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0059  -26.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7136  -27.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4214  -26.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4171  -26.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7088  -25.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7060  -23.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4162  -23.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.7010  -22.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.1214  -23.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8316  -23.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4651  -24.8229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  6  2  0
  5  4  2  0
  4  1  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  1  0
 18 20  2  0
 19 21  1  0
 21 22  1  0
  2 23  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA4646292

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 390.73

Molecular Weight (Monoisotopic): 390.9878

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Np Likeness Score: ┄

References

1. Costa CA, Lopes RM, Ferraz LS, Esteves GNN, Di Iorio JF, Souza AA, de Oliveira IM, Manarin F, Judice WAS, Stefani HA, Rodrigues T..  (2020)  Cytotoxicity of 4-substituted quinoline derivatives: Anticancer and antileishmanial potential.,  28  (11): [PMID:32336669] [10.1016/j.bmc.2020.115511]

Source

Source(1):

• Scientific Literature