(E)-3-(2,4-dichlorophenyl)-1-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]prop-2-en-1-one

Formula:C22H18N4O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(2,4-dichlorophenyl)-1-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-1-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C22H18N4O3Cl2
Smiles	[O-][N+](c(c1cccnc11)ccc1N(CC1)CCN1C(/C=C/c(ccc(Cl)c1)c1Cl)=O)=O
InChI	InChI=1S/C22H18Cl2N4O3/c23-16-5-3-15(18(24)14-16)4-8-21(29)27-12-10-26(11-13-27)20-7-6-19(28(30)31)17-2-1-9-25-22(17)20/h1-9,14H,10-13H2
InChIK	OECCYOBUVMEIKX-UHFFFAOYSA-N
TotalMolweight	457.316
Molweight	457.316
MonoisotopicMass	456.075595
CLogP	3.8741
CLogS	-5.681
H Acceptors	7
TotalSurfaceArea	327.28
Relative PSA	0.188
PolarSurfaceArea	82.26
Druglikeness	0.37566
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-(2,4-dichlorophenyl)-1-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-(2,4-dichlorophenyl)-1-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]prop-2-en-1-one

Request More Details | (E)-3-(2,4-dichlorophenyl)-1-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments