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

Formula:C30H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-dioxoisoindol-2-yl)ethyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	2-(1,3-dioxoisoindol-2-yl)ethyl (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C30H21N2O4Cl
Smiles	O=C(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)OCCN(C(c1c2cccc1)=O)C2=O
InChI	InChI=1S/C30H21ClN2O4/c31-20-12-9-18(10-13-20)17-19-11-14-24-26(23-7-3-4-8-25(23)32-27(19)24)30(36)37-16-15-33-28(34)21-5-1-2-6-22(21)29(33)35/h1-10,12-13,17H,11,14-16H2
InChIK	QHVBVKVZSFEYRZ-UHFFFAOYSA-N
TotalMolweight	508.96
Molweight	508.96
MonoisotopicMass	508.118985
CLogP	5.6892
CLogS	-6.648
H Acceptors	6
TotalSurfaceArea	367.86
Relative PSA	0.173
PolarSurfaceArea	76.57
Druglikeness	3.3307
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon

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

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