[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C29H23N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C29H23N3O4
Smiles	N#CCCN(C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)=O)c1ccccc1
InChI	InChI=1S/C29H23N3O4/c30-15-7-16-32(21-8-2-1-3-9-21)26(33)19-36-29(34)27-23-11-4-5-12-25(23)31-28-20(13-14-24(27)28)18-22-10-6-17-35-22/h1-6,8-12,17-18H,7,13-14,16,19H2
InChIK	VSUCZRYMRAYOGN-UHFFFAOYSA-N
TotalMolweight	477.519
Molweight	477.519
MonoisotopicMass	477.168857
CLogP	4.591
CLogS	-6.321
H Acceptors	7
TotalSurfaceArea	373.35
Relative PSA	0.20964
PolarSurfaceArea	96.43
Druglikeness	-3.8559
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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