(E)-4-[(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)amino]-4-oxobut-2-enoate

Formula:C20H17N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)amino]-4-oxobut-2-enoate is a drug-like molecule.

MolName	(E)-4-[(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)amino]-4-oxobut-2-enoate
MolecularFormula	C20H17N2O4
Smiles	[O-]C(/C=C/C(Nc(cc1)cc(CCC2)c1N2C(c1ccccc1)=O)=O)=O
InChI	InChI=1S/C20H18N2O4/c23-18(10-11-19(24)25)21-16-8-9-17-15(13-16)7-4-12-22(17)20(26)14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,23)(H,24,25)/p-1
InChIK	HTCTXEKNVTYRDD-UHFFFAOYSA-M
TotalMolweight	349.365
Molweight	349.365
MonoisotopicMass	349.118833
CLogP	0.5439
CLogS	-3.852
H Acceptors	6
H Donors	1
TotalSurfaceArea	269.84
Relative PSA	0.25352
PolarSurfaceArea	89.54
Druglikeness	1.5565
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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1 - (E)-4-[(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)amino]-4-oxobut-2-enoate | 2 - (E)-4-[(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)amino]-4-oxobut-2-enoate

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