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775264-39-6 | 2-Propyn-1-ol, 3-[3-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-
CAS No: 775264-39-6 Catalog No: AG005H3H MDL No:
Product Description
Catalog Number:
AG005H3H
Chemical Name:
2-Propyn-1-ol, 3-[3-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-
CAS Number:
775264-39-6
Molecular Formula:
C19H17N3O3
Molecular Weight:
335.3566
IUPAC Name:
3-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-yn-1-ol
InChI:
InChI=1S/C19H17N3O3/c1-24-17-10-15-16(11-18(17)25-2)20-12-21-19(15)22-14-7-3-5-13(9-14)6-4-8-23/h3,5,7,9-12,23H,8H2,1-2H3,(H,20,21,22)
InChI Key:
WIBRRSMFZMVFSE-UHFFFAOYSA-N
SMILES:
OCC#Cc1cccc(c1)Nc1ncnc2c1cc(OC)c(c2)OC
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.363g/mol
Monoisotopic Mass:
335.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of substituted 6-alkynyl-4-anilinoquinazoline derivatives as potent EGFR inhibitors. | Bioorganic & medicinal chemistry letters 20071115 |
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