1-(3,4-dichlorophenyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one

ID: ALA5179709

Chembl Id: CHEMBL5179709

PubChem CID: 168274680

Max Phase: Preclinical

Molecular Formula: C17H10Cl2N2O

Molecular Weight: 329.19

Names and Identifiers

Canonical SMILES:  O=c1[nH]c2ccccc2n2c(-c3ccc(Cl)c(Cl)c3)ccc12

Standard InChI:  InChI=1S/C17H10Cl2N2O/c18-11-6-5-10(9-12(11)19)14-7-8-16-17(22)20-13-3-1-2-4-15(13)21(14)16/h1-9H,(H,20,22)

Standard InChI Key:  PFDKVPXBFOSSBP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5179709

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 329.19

Molecular Weight (Monoisotopic): 328.0170

AlogP: 4.75

#Rotatable Bonds: 1

Polar Surface Area: 37.27

Molecular Species: NEUTRAL

HBA: 2

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 3

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 4.75

CX LogD: 4.75

Aromatic Rings: 4

Heavy Atoms: 22

QED Weighted: 0.54

Np Likeness Score: -1.03

References

1. Jiang X, Wu K, Bai R, Zhang P, Zhang Y..  (2022)  Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities.,  229  [PMID:34998058] [10.1016/j.ejmech.2021.114085]

Source

Source(1):

• Scientific Literature