4-[[6-(prop-2-enoylamino)quinazolin-4-yl]amino]-N-(2-pyridyl)benzamide

CovInDB Inhibitor

CI006251

Name

4-[[6-(prop-2-enoylamino)quinazolin-4-yl]amino]-N-(2-pyridyl)benzamide

Molecular Formula

C₂₃H₁₈N₆O₂

Molecular Weight

410.1491238 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

4-[[6-(prop-2-enoylamino)quinazolin-4-yl]amino]-N-(2-pyridyl)benzamide

InChI

InChI=1S/C23H18N6O2/c1-2-21(30)27-17-10-11-19-18(13-17)22(26-14-25-19)28-16-8-6-15(7-9-16)23(31)29-20-5-3-4-12-24-20/h2-14H,1H2,(H,27,30)(H,24,29,31)(H,25,26,28)

InChI Key

JQOSYJIAJCUPLO-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(C(=O)Nc4ccccn4)cc3)c2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

410.1491238 g/mol

Computed by RDKit

logP

3.458

Computed by ALOGPS

logS

-7.214

Computed by ALOGPS

Heavy Atom Count

31

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

6

Computed by RDKit

Hydrogen Bond Donor Count

3

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

108.9 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.