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

Formula:C27H25N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(cyclopentylamino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	[2-(cyclopentylamino)-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C27H25N2O3Cl
Smiles	O=C(COC(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)=O)NC1CCCC1
InChI	InChI=1S/C27H25ClN2O3/c28-19-12-9-17(10-13-19)15-18-11-14-22-25(21-7-3-4-8-23(21)30-26(18)22)27(32)33-16-24(31)29-20-5-1-2-6-20/h3-4,7-10,12-13,15,20H,1-2,5-6,11,14,16H2,(H,29,31)
InChIK	UPMKLFLHIGKJID-UHFFFAOYSA-N
TotalMolweight	460.96
Molweight	460.96
MonoisotopicMass	460.15537
CLogP	5.1576
CLogS	-6.478
H Acceptors	5
H Donors	1
TotalSurfaceArea	345.29
Relative PSA	0.16945
PolarSurfaceArea	68.29
Druglikeness	1.0103
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	9
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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

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