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133306-21-5 | 1H-Imidazo[4,5-c]quinoline-2,4-dione, 5-butyl-3,5-dihydro-1-methyl-
CAS No: 133306-21-5 Catalog No: AG0014KL MDL No:
Product Description
Catalog Number:
AG0014KL
Chemical Name:
1H-Imidazo[4,5-c]quinoline-2,4-dione, 5-butyl-3,5-dihydro-1-methyl-
CAS Number:
133306-21-5
Molecular Formula:
C15H17N3O2
Molecular Weight:
271.3144
IUPAC Name:
5-butyl-1-methyl-3H-imidazo[4,5-c]quinoline-2,4-dione
InChI:
InChI=1S/C15H17N3O2/c1-3-4-9-18-11-8-6-5-7-10(11)13-12(14(18)19)16-15(20)17(13)2/h5-8H,3-4,9H2,1-2H3,(H,16,20)
InChI Key:
SSUNWRQEYFCYRL-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2c2c(c1=O)[nH]c(=O)n2C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.32g/mol
Monoisotopic Mass:
271.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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