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Home > Indoles and Oxindole > 21231-49-2
21231-49-2 | 3-(5-quinolinylimino)-1,3-dihydro-2H-indol-2-one
CAS No: 21231-49-2 Catalog No: AG007ONU MDL No:
Product Description
Catalog Number:
AG007ONU
Chemical Name:
3-(5-quinolinylimino)-1,3-dihydro-2H-indol-2-one
CAS Number:
21231-49-2
Molecular Formula:
C17H11N3O
Molecular Weight:
273.2887
IUPAC Name:
3-quinolin-5-ylimino-1H-indol-2-one
InChI:
InChI=1S/C17H11N3O/c21-17-16(12-5-1-2-7-15(12)20-17)19-14-9-3-8-13-11(14)6-4-10-18-13/h1-10H,(H,19,20,21)
InChI Key:
FEMNWLUUNIQGHS-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=Nc1cccc3c1cccn3)cccc2
NSC Number:
117198
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.295g/mol
Monoisotopic Mass:
273.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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