| CAS Number | 413599-62-9 |
| Catalog Number | AG01FPEQ(AGN-PC-0RQCMB) |
| Chemical Name | ZD-4190 |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine |
| InChI | InChI=1S/C19H16BrFN6O2/c1-28-17-9-13-16(10-18(17)29-7-6-27-5-4-24-26-27)22-11-23-19(13)25-15-3-2-12(20)8-14(15)21/h2-5,8-11H,6-7H2,1H3,(H,22,23,25) |
| InChI Key | YBTGTVGEKMZEQX-UHFFFAOYSA-N |
| MDL Number | MFCD28976687 |
| Molecular Formula | C19H16BrFN6O2 |
| Molecular Weight | 459.2717 |
| SMILES | N1=C2C(C=C(OC)C(OCCN3C=CN=N3)=C2)=C(NC2=CC=C(Br)C=C2F)N=C1 |
| Synonyms | N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(2-(1H-1,2,3-triazol-1-yl)ethoxy)quinazolin-4-amine,
ZD 4190,
ZD-4190,
ZD4190,
ZD-4190,
ZD4190,
AC1NS5WP,
SCHEMBL173259,
BDBM4651,
CHEMBL281872,
ZINC1490292,
HY-U00002,
CS-6801,
413599-62-9,
N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(triazol-1-yl)ethoxy]quinazolin-4-amine,
n-(4-bromo-2-fluorophenyl)-6-methoxy-7-[2-(1h-1,2,3-triazol-1-yl)ethoxy]quinazolin-4-amine,
CID5329032,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.279g/mol |
| Monoisotopic Mass | 458.05g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number