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877977-59-8 | 3-(quinolin-2-ylmethylidene)piperazin-2-one
CAS No: 877977-59-8 Catalog No: AG019PFX MDL No:MFCD08271838
Product Description
Catalog Number:
AG019PFX
Chemical Name:
3-(quinolin-2-ylmethylidene)piperazin-2-one
CAS Number:
877977-59-8
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
MDL Number:
MFCD08271838
IUPAC Name:
3-(quinolin-2-ylmethylidene)piperazin-2-one
InChI:
InChI=1S/C14H13N3O/c18-14-13(15-7-8-16-14)9-11-6-5-10-3-1-2-4-12(10)17-11/h1-6,9,15H,7-8H2,(H,16,18)
InChI Key:
QLSITWHUNWVGOS-UHFFFAOYSA-N
SMILES:
O=C1NCCNC1=Cc1ccc2c(n1)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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