[2-(4-carbamoylanilino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C29H22N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(4-carbamoylanilino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	[2-(4-carbamoylanilino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C29H22N3O4Cl
Smiles	NC(c(cc1)ccc1NC(COC(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)=O)=O)=O
InChI	InChI=1S/C29H22ClN3O4/c30-20-10-5-17(6-11-20)15-19-9-14-23-26(22-3-1-2-4-24(22)33-27(19)23)29(36)37-16-25(34)32-21-12-7-18(8-13-21)28(31)35/h1-8,10-13,15H,9,14,16H2,(H2,31,35)(H,32,34)
InChIK	VBJXWNGHBRUOSY-UHFFFAOYSA-N
TotalMolweight	511.964
Molweight	511.964
MonoisotopicMass	511.129884
CLogP	4.7399
CLogS	-6.77
H Acceptors	7
H Donors	2
TotalSurfaceArea	377.28
Relative PSA	0.23012
PolarSurfaceArea	111.38
Druglikeness	2.3668
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - [2-(4-carbamoylanilino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(4-carbamoylanilino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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