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870959-62-9 | 2-CHLORO-5-(6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YLAMINO)CYCLOHEXA-2,5-DIENE-1,4-DIONE
CAS No: 870959-62-9 Catalog No: AG004LKD MDL No:
Product Description
Catalog Number:
AG004LKD
Chemical Name:
2-CHLORO-5-(6-METHOXY-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YLAMINO)CYCLOHEXA-2,5-DIENE-1,4-DIONE
CAS Number:
870959-62-9
Molecular Formula:
C18H16ClN3O5
Molecular Weight:
389.7897
IUPAC Name:
2-chloro-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C18H16ClN3O5/c1-25-3-4-27-17-8-12-10(5-16(17)26-2)18(21-9-20-12)22-13-7-14(23)11(19)6-15(13)24/h5-9H,3-4H2,1-2H3,(H,20,21,22)
InChI Key:
JJWDGFHYXVCNTQ-UHFFFAOYSA-N
SMILES:
COCCOc1cc2ncnc(c2cc1OC)NC1=CC(=O)C(=CC1=O)Cl
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.078g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.792g/mol
Monoisotopic Mass:
389.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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