3-ethyl-6-fluoroquinazolin-4(3H)-one

ID: ALA5280031

Chembl Id: CHEMBL5280031

Max Phase: Preclinical

Molecular Formula: C10H9FN2O

Molecular Weight: 192.19

Names and Identifiers

Canonical SMILES:  CCn1cnc2ccc(F)cc2c1=O

Standard InChI:  InChI=1S/C10H9FN2O/c1-2-13-6-12-9-4-3-7(11)5-8(9)10(13)14/h3-6H,2H2,1H3

Standard InChI Key:  CXXQQCHYMHUVAY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5280031

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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: 192.19

Molecular Weight (Monoisotopic): 192.0699

AlogP: 1.56

#Rotatable Bonds: 1

Polar Surface Area: 34.89

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 3

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 5.28

CX LogP: 1.45

CX LogD: 1.44

Aromatic Rings: 2

Heavy Atoms: 14

QED Weighted: 0.69

Np Likeness Score: -1.91

References

1. Alagarsamy V, Chitra K, Saravanan G, Solomon VR, Sulthana MT, Narendhar B..  (2018)  An overview of quinazolines: Pharmacological significance and recent developments.,  151  [PMID:29656203] [10.1016/j.ejmech.2018.03.076]

Source

Source(1):

• Scientific Literature