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104635-65-6 | 3H-Pyrazolo[4,3-c]quinolin-3-one, 2,5-dihydro-2-(5-methyl-2-thienyl)-
CAS No: 104635-65-6 Catalog No: AG007GX4 MDL No:
Product Description
Catalog Number:
AG007GX4
Chemical Name:
3H-Pyrazolo[4,3-c]quinolin-3-one, 2,5-dihydro-2-(5-methyl-2-thienyl)-
CAS Number:
104635-65-6
Molecular Formula:
C15H11N3OS
Molecular Weight:
281.3323
IUPAC Name:
2-(5-methylthiophen-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
InChI:
InChI=1S/C15H11N3OS/c1-9-6-7-13(20-9)18-15(19)11-8-16-12-5-3-2-4-10(12)14(11)17-18/h2-8,17H,1H3
InChI Key:
JOPACTLAUXYSLA-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)n1nc2c(c1=O)c[nH]c1c2cccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.333g/mol
Monoisotopic Mass:
281.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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