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1050885-72-7 | 3-methyl-8-(piperazine-1-sulfonyl)quinoline
CAS No: 1050885-72-7 Catalog No: AG019MFU MDL No:MFCD10686834
Product Description
Catalog Number:
AG019MFU
Chemical Name:
3-methyl-8-(piperazine-1-sulfonyl)quinoline
CAS Number:
1050885-72-7
Molecular Formula:
C14H17N3O2S
Molecular Weight:
291.3687
MDL Number:
MFCD10686834
IUPAC Name:
3-methyl-8-piperazin-1-ylsulfonylquinoline
InChI:
InChI=1S/C14H17N3O2S/c1-11-9-12-3-2-4-13(14(12)16-10-11)20(18,19)17-7-5-15-6-8-17/h2-4,9-10,15H,5-8H2,1H3
InChI Key:
GTHOTHBDECTHNG-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)cccc2S(=O)(=O)N1CCNCC1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.369g/mol
Monoisotopic Mass:
291.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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