(2-oxooxolan-3-yl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C25H19NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2-oxooxolan-3-yl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	(2-oxooxolan-3-yl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C25H19NO6
Smiles	O=C(c1c(CC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)OC(CCO1)C1=O
InChI	InChI=1S/C25H19NO6/c27-24-20(9-10-29-24)32-25(28)22-16-3-1-2-4-18(16)26-23-15(6-7-17(22)23)11-14-5-8-19-21(12-14)31-13-30-19/h1-5,8,11-12,20H,6-7,9-10,13H2/t20-/m0/s1
InChIK	ODNMCJONTPNJMU-FQEVSTJZSA-N
TotalMolweight	429.427
Molweight	429.427
MonoisotopicMass	429.121239
CLogP	3.8491
CLogS	-5.779
H Acceptors	7
TotalSurfaceArea	307.39
Relative PSA	0.25066
PolarSurfaceArea	83.95
Druglikeness	-0.30511
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	10
Aromatic Nitrogens	1
StereoCon	racemate

Click to Load Molecule:

1 - (2-oxooxolan-3-yl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - (2-oxooxolan-3-yl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Request More Details | (2-oxooxolan-3-yl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments