(3R,4S)-3-acetyl-6-amino-1-(4-chlorophenyl)-4-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-oxo-3,4-dihydropyridine-5-carbonitrile

Formula:C25H21N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (3R,4S)-3-acetyl-6-amino-1-(4-chlorophenyl)-4-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-oxo-3,4-dihydropyridine-5-carbonitrile is a drug-like molecule.

MolName	(3R,4S)-3-acetyl-6-amino-1-(4-chlorophenyl)-4-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-oxo-3,4-dihydropyridine-5-carbonitrile
MolecularFormula	C25H21N4O3Cl
Smiles	CC([C@@H]([C@H](C1=Cc(c(C)cc(C)c2)c2NC1=O)C(C#N)=C(N)N1c(cc2)ccc2Cl)C1=O)=O
InChI	InChI=1S/C25H21ClN4O3/c1-12-8-13(2)17-10-18(24(32)29-20(17)9-12)22-19(11-27)23(28)30(25(33)21(22)14(3)31)16-6-4-15(26)5-7-16/h4-10,21-22H,28H2,1-3H3,(H,29,32)/t21-,22+/m0/s1
InChIK	QLVUUVHGXFTOAA-FCHUYYIVSA-N
TotalMolweight	460.92
Molweight	460.92
MonoisotopicMass	460.130218
CLogP	2.7809
CLogS	-7.371
H Acceptors	7
H Donors	2
TotalSurfaceArea	336.09
Relative PSA	0.24684
PolarSurfaceArea	116.29
Druglikeness	-0.95151
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon	this enantiomer

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1 - (3R,4S)-3-acetyl-6-amino-1-(4-chlorophenyl)-4-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-oxo-3,4-dihydropyridine-5-carbonitrile | 2 - (3R,4S)-3-acetyl-6-amino-1-(4-chlorophenyl)-4-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-oxo-3,4-dihydropyridine-5-carbonitrile

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