N-[4-(4,5-dichloro-2-fluoro-anilino)quinazolin-6-yl]prop-2-enamide

CovInDB Inhibitor

CI002534

Name

N-[4-(4,5-dichloro-2-fluoro-anilino)quinazolin-6-yl]prop-2-enamide

Molecular Formula

C₁₇H₁₁Cl₂FN₄O

Molecular Weight

376.03 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[4-(4,5-dichloro-2-fluoro-anilino)quinazolin-6-yl]prop-2-enamide

InChI

InChI=1S/C17H11Cl2FN4O/c1-2-16(25)23-9-3-4-14-10(5-9)17(22-8-21-14)24-15-7-12(19)11(18)6-13(15)20/h2-8H,1H2,(H,23,25)(H,21,22,24)

InChI Key

BYJCHKAVUQQEQZ-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

376.03 g/mol

Computed by RDKit

logP

4.39

Computed by ALOGPS

logS

-5.07

Computed by ALOGPS

Heavy Atom Count

25

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

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No similar natural compounds found for this inhibitor.