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10147-04-3 | Propanediamide, 2-(4-quinolinyl)-
CAS No: 10147-04-3 Catalog No: AG0004KK MDL No:
Product Description
Catalog Number:
AG0004KK
Chemical Name:
Propanediamide, 2-(4-quinolinyl)-
CAS Number:
10147-04-3
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
IUPAC Name:
2-quinolin-4-ylpropanediamide
InChI:
InChI=1S/C12H11N3O2/c13-11(16)10(12(14)17)8-5-6-15-9-4-2-1-3-7(8)9/h1-6,10H,(H2,13,16)(H2,14,17)
InChI Key:
SLILCKWNUBMXTN-UHFFFAOYSA-N
SMILES:
NC(=O)C(c1ccnc2c1cccc2)C(=O)N
NSC Number:
144426
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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