cyclopentyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Formula:C28H30N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none cyclopentyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is a drug-like molecule.

MolName	cyclopentyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MolecularFormula	C28H30N2O4
Smiles	CC(NC(C[C@H](C1)c(cc2)ccc2OC)=C([C@@H]2c3ccncc3)C1=O)=C2C(OC1CCCC1)=O
InChI	InChI=1S/C28H30N2O4/c1-17-25(28(32)34-22-5-3-4-6-22)26(19-11-13-29-14-12-19)27-23(30-17)15-20(16-24(27)31)18-7-9-21(33-2)10-8-18/h7-14,20,22,26,30H,3-6,15-16H2,1-2H3/t20-,26-/m1/s1
InChIK	TZXKIMBFKRHZNY-FQRUVTKNSA-N
TotalMolweight	458.556
Molweight	458.556
MonoisotopicMass	458.220558
CLogP	4.8937
CLogS	-5.207
H Acceptors	6
H Donors	1
TotalSurfaceArea	348.66
Relative PSA	0.1965
PolarSurfaceArea	77.52
Druglikeness	0.26691
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - cyclopentyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate | 2 - cyclopentyl (4S,7R)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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