3-[(R)-(1-tert-butyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-8-methyl-1H-quinolin-2-one

Formula:C22H30N6O Mutagenic:high Tumorigenic:low Reproductive Effective:none 3-[(R)-(1-tert-butyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-8-methyl-1H-quinolin-2-one is a drug-like molecule.

MolName	3-[(R)-(1-tert-butyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
MolecularFormula	C22H30N6O
Smiles	C[C@H](CCC1)CN1[C@@H](c1nnnn1C(C)(C)C)C1=Cc(cccc2C)c2NC1=O
InChI	InChI=1S/C22H30N6O/c1-14-8-7-11-27(13-14)19(20-24-25-26-28(20)22(3,4)5)17-12-16-10-6-9-15(2)18(16)23-21(17)29/h6,9-10,12,14,19H,7-8,11,13H2,1-5H3,(H,23,29)/t14-,19-/m1/s1
InChIK	SRZVOGCKFADUOL-AUUYWEPGSA-N
TotalMolweight	394.521
Molweight	394.521
MonoisotopicMass	394.248109
CLogP	2.2739
CLogS	-3.729
H Acceptors	7
H Donors	1
TotalSurfaceArea	307.47
Relative PSA	0.22061
PolarSurfaceArea	75.94
Druglikeness	3.2917
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.37931
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	13
Symmetricatoms	2
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon	this enantiomer

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