Name: Name:2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile
Brand: Angene
SKU: AG00GU1N
Rating: 90 (10 reviews)

2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile

CAS No.:

915019-51-1

Catalog Number:

AG00GU1N

Molecular Formula:

C19H15BrN4O2

Molecular Weight:

411.2520

Catalog Number:

AG00GU1N

Chemical Name:

2-[4-[(6-Bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropionitrile

CAS Number:

915019-51-1

Molecular Formula:

C19H15BrN4O2

Molecular Weight:

411.2520

MDL Number:

MFCD12408067

IUPAC Name:

2-[4-[(6-bromo-3-nitroquinolin-4-yl)amino]phenyl]-2-methylpropanenitrile

InChI:

InChI=1S/C19H15BrN4O2/c1-19(2,11-21)12-3-6-14(7-4-12)23-18-15-9-13(20)5-8-16(15)22-10-17(18)24(25)26/h3-10H,1-2H3,(H,22,23)

InChI Key:

BFZRWFNXSNWGCF-UHFFFAOYSA-N

SMILES:

N#CC(c1ccc(cc1)Nc1c(cnc2c1cc(Br)cc2)[N+](=O)[O-])(C)C

Complexity:

562

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

410.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

411.259g/mol

Monoisotopic Mass:

410.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4