sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 2-methyl-2-{4-[2-oxo-9-(quinolin-3-yl)-4H-[1,3]oxazino[5,4-c]quinolin-1-yl]phenyl}propanenitrile

2-methyl-2-{4-[2-oxo-9-(quinolin-3-yl)-4H-[1,3]oxazino[5,4-c]quinolin-1-yl]phenyl}propanenitrile

CAS No.:
1345675-02-6
Catalog Number:
AG009CBO
Molecular Formula:
C30H22N4O2
Molecular Weight:
470.5213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
98%
1 week
United States
$182
- +
10mg
98%
1 week
United States
$251
- +
50mg
98%
1 week
United States
$751
- +
100mg
98%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG009CBO
Chemical Name:
2-methyl-2-{4-[2-oxo-9-(quinolin-3-yl)-4H-[1,3]oxazino[5,4-c]quinolin-1-yl]phenyl}propanenitrile
CAS Number:
1345675-02-6
Molecular Formula:
C30H22N4O2
Molecular Weight:
470.5213
MDL Number:
MFCD23160051
IUPAC Name:
2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile
InChI:
InChI=1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
InChI Key:
DPLMXAYKJZOTKO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)N1C(=O)OCc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)(C)C
Properties
Complexity:
858  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.174g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.532g/mol
Monoisotopic Mass:
470.174g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
A cell-based screen identifies ATR inhibitors with synthetic lethal properties for cancer-associated mutations. Nature structural & molecular biology 20110601
Properties