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Home > Nitro Compounds > 81839-35-2
81839-35-2 | Piperazine, 1-(4-nitrobenzoyl)-4-(1,2,3,4-tetrahydro-2-oxo-5-quinolinyl)-
CAS No: 81839-35-2 Catalog No: AG005HU1 MDL No:
Product Description
Catalog Number:
AG005HU1
Chemical Name:
Piperazine, 1-(4-nitrobenzoyl)-4-(1,2,3,4-tetrahydro-2-oxo-5-quinolinyl)-
CAS Number:
81839-35-2
Molecular Formula:
C20H20N4O4
Molecular Weight:
380.3972
IUPAC Name:
5-[4-(4-nitrobenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C20H20N4O4/c25-19-9-8-16-17(21-19)2-1-3-18(16)22-10-12-23(13-11-22)20(26)14-4-6-15(7-5-14)24(27)28/h1-7H,8-13H2,(H,21,25)
InChI Key:
QCNCZZLYIZHYBP-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)cccc2N1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.404g/mol
Monoisotopic Mass:
380.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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