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81839-76-1 | Piperazine, 1-(4-cyanobenzoyl)-4-(1,2-dihydro-2-oxo-6-quinolinyl)-
CAS No: 81839-76-1 Catalog No: AG0050C7 MDL No:
Product Description
Catalog Number:
AG0050C7
Chemical Name:
Piperazine, 1-(4-cyanobenzoyl)-4-(1,2-dihydro-2-oxo-6-quinolinyl)-
CAS Number:
81839-76-1
Molecular Formula:
C21H18N4O2
Molecular Weight:
358.3932
IUPAC Name:
4-[4-(2-oxo-1H-quinolin-6-yl)piperazine-1-carbonyl]benzonitrile
InChI:
InChI=1S/C21H18N4O2/c22-14-15-1-3-16(4-2-15)21(27)25-11-9-24(10-12-25)18-6-7-19-17(13-18)5-8-20(26)23-19/h1-8,13H,9-12H2,(H,23,26)
InChI Key:
OOAQKJZZKAZBFA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc2c(c1)ccc(=O)[nH]2
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.401g/mol
Monoisotopic Mass:
358.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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