200,000+ products from a single source!
sales@angenechem.com
81528-05-4 | Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 3-methyl-10-octyl-
CAS No: 81528-05-4 Catalog No: AG008M44 MDL No:
Product Description
Catalog Number:
AG008M44
Chemical Name:
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 3-methyl-10-octyl-
CAS Number:
81528-05-4
Molecular Formula:
C20H25N3O2
Molecular Weight:
339.4314
IUPAC Name:
3-methyl-10-octylpyrimido[4,5-b]quinoline-2,4-dione
InChI:
InChI=1S/C20H25N3O2/c1-3-4-5-6-7-10-13-23-17-12-9-8-11-15(17)14-16-18(23)21-20(25)22(2)19(16)24/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChI Key:
JQHGCGIOEQNUAX-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c2ccccc2cc2c1nc(=O)n(c2=O)C
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.439g/mol
Monoisotopic Mass:
339.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
© 2019 Angene International Limited. All rights Reserved.