200,000+ products from a single source!
sales@angenechem.com
91545-98-1 | Pyrimido[4,5-b]quinoline-2,4(1H,3H)-dione, 5-phenyl-
CAS No: 91545-98-1 Catalog No: AG006L66 MDL No:
Product Description
Catalog Number:
AG006L66
Chemical Name:
Pyrimido[4,5-b]quinoline-2,4(1H,3H)-dione, 5-phenyl-
CAS Number:
91545-98-1
Molecular Formula:
C17H11N3O2
Molecular Weight:
289.2881
IUPAC Name:
5-phenyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
InChI:
InChI=1S/C17H11N3O2/c21-16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-15(14)19-17(22)20-16/h1-9H,(H2,18,19,20,21,22)
InChI Key:
UMRLYJBNIRCHCT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)nc1c(c2c2ccccc2)cccc1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.294g/mol
Monoisotopic Mass:
289.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.