N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-(2-methoxyethoxy)quinazolin-6-yl]prop-2-enamide

CovInDB Inhibitor

CI003536

Name

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-(2-methoxyethoxy)quinazolin-6-yl]prop-2-enamide

Molecular Formula

C₂₇H₂₄ClFN₄O₄

Molecular Weight

522.15 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-(2-methoxyethoxy)quinazolin-6-yl]prop-2-enamide

InChI

InChI=1S/C27H24ClFN4O4/c1-3-26(34)33-23-13-20-22(14-25(23)36-10-9-35-2)30-16-31-27(20)32-19-7-8-24(21(28)12-19)37-15-17-5-4-6-18(29)11-17/h3-8,11-14,16H,1,9-10,15H2,2H3,(H,33,34)(H,30,31,32)

InChI Key

QORKHYDTJJDLQZ-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCCOC

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

522.15 g/mol

Computed by RDKit

logP

5.33

Computed by ALOGPS

logS

-5.35

Computed by ALOGPS

Heavy Atom Count

37

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

7

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

11

Computed by RDKit

Topological Polar Surface Area

94.6 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.