[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C26H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C26H21N2O4Cl
Smiles	O=C(COC(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)=O)N(CCC1)C1=O
InChI	InChI=1S/C26H21ClN2O4/c27-18-10-7-16(8-11-18)14-17-9-12-20-24(19-4-1-2-5-21(19)28-25(17)20)26(32)33-15-23(31)29-13-3-6-22(29)30/h1-2,4-5,7-8,10-11,14H,3,6,9,12-13,15H2
InChIK	BEKRSTIOHMCEAR-UHFFFAOYSA-N
TotalMolweight	460.916
Molweight	460.916
MonoisotopicMass	460.118985
CLogP	4.4352
CLogS	-5.48
H Acceptors	6
TotalSurfaceArea	335.62
Relative PSA	0.18962
PolarSurfaceArea	76.57
Druglikeness	4.6611
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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