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870959-98-1

870959-98-1 | 2,5-Cyclohexadiene-1,4-dione,2-methoxy-5-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-

CAS No: 870959-98-1 Catalog No: AG004LKC MDL No:

Product Description

Catalog Number:
AG004LKC
Chemical Name:
2,5-Cyclohexadiene-1,4-dione,2-methoxy-5-[[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]amino]-
CAS Number:
870959-98-1
Molecular Formula:
C19H19N3O6
Molecular Weight:
385.3707
IUPAC Name:
2-methoxy-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C19H19N3O6/c1-25-4-5-28-18-8-12-11(6-17(18)27-3)19(21-10-20-12)22-13-7-15(24)16(26-2)9-14(13)23/h6-10H,4-5H2,1-3H3,(H,20,21,22)
InChI Key:
NNSKLWXTYRGLMC-UHFFFAOYSA-N
SMILES:
COCCOc1cc2ncnc(c2cc1OC)NC1=CC(=O)C(=CC1=O)OC

Properties

Complexity:
650  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.127g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
385.376g/mol
Monoisotopic Mass:
385.127g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
2-(Quinazolin-4-ylamino)-[1,4]benzoquinones as covalent-binding, irreversible inhibitors of the kinase domain of vascular endothelial growth factor receptor-2. Journal of medicinal chemistry 20051201

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