6-bromo-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one

Formula:C26H16N3O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-bromo-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one is a drug-like molecule.

MolName	6-bromo-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one
MolecularFormula	C26H16N3O2Br
Smiles	O=C(/C=C/c1cc2nccnc2cc1)C1=C(c2ccccc2)c(cc(cc2)Br)c2NC1=O
InChI	InChI=1S/C26H16BrN3O2/c27-18-8-10-20-19(15-18)24(17-4-2-1-3-5-17)25(26(32)30-20)23(31)11-7-16-6-9-21-22(14-16)29-13-12-28-21/h1-15H,(H,30,32)
InChIK	AJAPBJUJTKOZLU-UHFFFAOYSA-N
TotalMolweight	482.336
Molweight	482.336
MonoisotopicMass	481.042588
CLogP	4.2226
CLogS	-5.843
H Acceptors	5
H Donors	1
TotalSurfaceArea	326.41
Relative PSA	0.18222
PolarSurfaceArea	71.95
Druglikeness	1.8822
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 6-bromo-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one | 2 - 6-bromo-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one

Request More Details | 6-bromo-4-phenyl-3-[(E)-3-quinoxalin-6-ylprop-2-enoyl]-1H-quinolin-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments