(2-amino-2-oxoethyl) (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C22H18N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-amino-2-oxoethyl) (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	(2-amino-2-oxoethyl) (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C22H18N2O3
Smiles	NC(COC(c1c(CC/C2=C/c3ccccc3)c2nc2ccccc12)=O)=O
InChI	InChI=1S/C22H18N2O3/c23-19(25)13-27-22(26)20-16-8-4-5-9-18(16)24-21-15(10-11-17(20)21)12-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H2,23,25)
InChIK	BSULWUYASHBBNZ-UHFFFAOYSA-N
TotalMolweight	358.396
Molweight	358.396
MonoisotopicMass	358.131743
CLogP	2.9864
CLogS	-4.522
H Acceptors	5
H Donors	1
TotalSurfaceArea	272.89
Relative PSA	0.22837
PolarSurfaceArea	82.28
Druglikeness	0.90189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (2-amino-2-oxoethyl) (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - (2-amino-2-oxoethyl) (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Request More Details | (2-amino-2-oxoethyl) (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments