N-(4-anilinoquinazolin-6-yl)prop-2-enamide

CovInDB Inhibitor

CI004829

Name

N-(4-anilinoquinazolin-6-yl)prop-2-enamide

Molecular Formula

C₁₇H₁₄N₄O

Molecular Weight

290.12 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

N-(4-anilinoquinazolin-6-yl)prop-2-enamide

InChI

InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)

InChI Key

JGWHILNNHLDARR-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1

Cocrystal structures

2HWO

Molecular Weight

290.12 g/mol

Computed by RDKit

logP

2.74

Computed by ALOGPS

logS

-4.16

Computed by ALOGPS

Heavy Atom Count

22

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

66.91 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.