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1370616-09-3 | 2-Pyridineacetonitrile, 5-[(3-amino-6-bromo-4-quinolinyl)amino]-α,α-dimethyl-
CAS No: 1370616-09-3 Catalog No: AG0012S0 MDL No:
Product Description
Catalog Number:
AG0012S0
Chemical Name:
2-Pyridineacetonitrile, 5-[(3-amino-6-bromo-4-quinolinyl)amino]-α,α-dimethyl-
CAS Number:
1370616-09-3
Molecular Formula:
C18H16BrN5
Molecular Weight:
382.2571
IUPAC Name:
2-[5-[(3-amino-6-bromoquinolin-4-yl)amino]pyridin-2-yl]-2-methylpropanenitrile
InChI:
InChI=1S/C18H16BrN5/c1-18(2,10-20)16-6-4-12(8-23-16)24-17-13-7-11(19)3-5-15(13)22-9-14(17)21/h3-9H,21H2,1-2H3,(H,22,24)
InChI Key:
PNKJBXJDULKQKM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cn1)Nc1c(N)cnc2c1cc(Br)cc2)(C)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.059g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.265g/mol
Monoisotopic Mass:
381.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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