ethyl (4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate

Formula:C25H25N2O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl (4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate is a drug-like molecule.

MolName	ethyl (4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
MolecularFormula	C25H25N2O4F
Smiles	CCOC(C([C@H](c(cc1)ccc1F)C1=C2CCCC1=O)=C(N)N2c(cc1)ccc1OC)=O
InChI	InChI=1S/C25H25FN2O4/c1-3-32-25(30)23-21(15-7-9-16(26)10-8-15)22-19(5-4-6-20(22)29)28(24(23)27)17-11-13-18(31-2)14-12-17/h7-14,21H,3-6,27H2,1-2H3/t21-/m1/s1
InChIK	PRYJUTQTCBAQAC-OAQYLSRUSA-N
TotalMolweight	436.481
Molweight	436.481
MonoisotopicMass	436.179836
CLogP	4.3149
CLogS	-6.373
H Acceptors	6
H Donors	1
TotalSurfaceArea	324.59
Relative PSA	0.19994
PolarSurfaceArea	81.86
Druglikeness	-6.6487
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
StereoCon	this enantiomer

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1 - ethyl (4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate | 2 - ethyl (4R)-2-amino-4-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate

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