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205195-05-7 | 4-Quinazolinamine, 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-
CAS No: 205195-05-7 Catalog No: AG0029XC MDL No:
Product Description
Catalog Number:
AG0029XC
Chemical Name:
4-Quinazolinamine, 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-
CAS Number:
205195-05-7
Molecular Formula:
C17H14F3N3O2
Molecular Weight:
349.3072
IUPAC Name:
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
InChI:
InChI=1S/C17H14F3N3O2/c1-24-14-7-12-13(8-15(14)25-2)21-9-22-16(12)23-11-5-3-4-10(6-11)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChI Key:
KEQCEKUDWPXRRQ-UHFFFAOYSA-N
SMILES:
COc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.104g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.313g/mol
Monoisotopic Mass:
349.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and DNA-binding of N-alkyl(anilino)quinazoline derivatives. | Journal of medicinal chemistry 20101125 |
| Tyrosine kinase inhibitors. 8. An unusually steep structure-activity relationship for analogues of 4-(3-bromoanilino)-6,7-dimethoxyquinazoline (PD 153035), a potent inhibitor of the epidermal growth factor receptor. | Journal of medicinal chemistry 19960105 |
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