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89263-30-9 | Urea, N-methyl-N'-(3-methyl-3H-imidazo[4,5-f]quinolin-9-yl)-
CAS No: 89263-30-9 Catalog No: AG0041GS MDL No:
Product Description
Catalog Number:
AG0041GS
Chemical Name:
Urea, N-methyl-N'-(3-methyl-3H-imidazo[4,5-f]quinolin-9-yl)-
CAS Number:
89263-30-9
Molecular Formula:
C13H13N5O
Molecular Weight:
255.2752
IUPAC Name:
1-methyl-3-(3-methylimidazo[4,5-f]quinolin-9-yl)urea
InChI:
InChI=1S/C13H13N5O/c1-14-13(19)17-9-5-6-15-8-3-4-10-12(11(8)9)16-7-18(10)2/h3-7H,1-2H3,(H2,14,15,17,19)
InChI Key:
FDQNORNTINMLRI-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1ccnc2c1c1ncn(c1cc2)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.281g/mol
Monoisotopic Mass:
255.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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