6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one

Formula:C24H18N3O3I Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one is not a drug-like molecule.

MolName	6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one
MolecularFormula	C24H18N3O3I
Smiles	[O-][N+](c1cccc(/C=C/C(N2CCc3ccccc3)=Nc(ccc(I)c3)c3C2=O)c1)=O
InChI	InChI=1S/C24H18IN3O3/c25-19-10-11-22-21(16-19)24(29)27(14-13-17-5-2-1-3-6-17)23(26-22)12-9-18-7-4-8-20(15-18)28(30)31/h1-12,15-16H,13-14H2
InChIK	XHPQAGOTVUMWKE-UHFFFAOYSA-N
TotalMolweight	523.325
Molweight	523.325
MonoisotopicMass	523.03929
CLogP	4.1786
CLogS	-6.124
H Acceptors	6
TotalSurfaceArea	334.27
Relative PSA	0.17507
PolarSurfaceArea	78.49
Druglikeness	-1.328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one | 2 - 6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one

Request More Details | 6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3-(2-phenylethyl)quinazolin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments