N'-(2,4-difluorobenzylidene)-2-(7-fluoro-2-methoxyquinolin-8-yl)acetohydrazide

ID: ALA5284259

Chembl Id: CHEMBL5284259

Max Phase: Preclinical

Molecular Formula: C19H14F3N3O2

Molecular Weight: 373.33

Names and Identifiers

Canonical SMILES:  COc1ccc2ccc(F)c(CC(=O)N/N=C/c3ccc(F)cc3F)c2n1

Standard InChI:  InChI=1S/C19H14F3N3O2/c1-27-18-7-4-11-3-6-15(21)14(19(11)24-18)9-17(26)25-23-10-12-2-5-13(20)8-16(12)22/h2-8,10H,9H2,1H3,(H,25,26)/b23-10+

Standard InChI Key:  AHUNVFJSFKGJLA-AUEPDCJTSA-N

Alternative Forms

1. Parent:

   

   ALA5284259

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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: 373.33

Molecular Weight (Monoisotopic): 373.1038

AlogP: 3.35

#Rotatable Bonds: 5

Polar Surface Area: 63.58

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 11.80

CX Basic pKa: 1.54

CX LogP: 3.97

CX LogD: 3.97

Aromatic Rings: 3

Heavy Atoms: 27

QED Weighted: 0.55

Np Likeness Score: -1.98

References

1. Dighe SN, Collet TA..  (2020)  Recent advances in DNA gyrase-targeted antimicrobial agents.,  199  [PMID:32460040] [10.1016/j.ejmech.2020.112326]

Source

Source(1):

• Scientific Literature