[2-oxo-2-(3-phenylpropylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C29H26N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(3-phenylpropylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(3-phenylpropylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C29H26N2O4
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)NCCCc1ccccc1
InChI	InChI=1S/C29H26N2O4/c32-26(30-16-6-10-20-8-2-1-3-9-20)19-35-29(33)27-23-12-4-5-13-25(23)31-28-21(14-15-24(27)28)18-22-11-7-17-34-22/h1-5,7-9,11-13,17-18H,6,10,14-16,19H2,(H,30,32)
InChIK	BWHBCIMIRNALCA-UHFFFAOYSA-N
TotalMolweight	466.535
Molweight	466.535
MonoisotopicMass	466.189258
CLogP	4.8292
CLogS	-5.825
H Acceptors	6
H Donors	1
TotalSurfaceArea	366.56
Relative PSA	0.19811
PolarSurfaceArea	81.43
Druglikeness	1.0246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - [2-oxo-2-(3-phenylpropylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-oxo-2-(3-phenylpropylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Request More Details | [2-oxo-2-(3-phenylpropylamino)ethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments