Name: Name:7-(benzyloxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine
Brand: Angene
SKU: AG00G66B
Rating: 90 (10 reviews)

7-(benzyloxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine

CAS No.:

768350-54-5

Catalog Number:

AG00G66B

Molecular Formula:

C22H17BrFN3O2

Molecular Weight:

454.2917

Catalog Number:

AG00G66B

Chemical Name:

7-(benzyloxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine

CAS Number:

768350-54-5

Molecular Formula:

C22H17BrFN3O2

Molecular Weight:

454.2917

MDL Number:

MFCD19440903

IUPAC Name:

N-(4-bromo-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine

InChI:

InChI=1S/C22H17BrFN3O2/c1-28-20-10-16-19(11-21(20)29-12-14-5-3-2-4-6-14)25-13-26-22(16)27-18-8-7-15(23)9-17(18)24/h2-11,13H,12H2,1H3,(H,25,26,27)

InChI Key:

UPEHYJHYPMGWJC-UHFFFAOYSA-N

SMILES:

COc1cc2c(ncnc2cc1OCc1ccccc1)Nc1ccc(cc1F)Br

Complexity:

510

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

453.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

454.299g/mol

Monoisotopic Mass:

453.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6