benzyl (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Formula:C25H26N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate is a drug-like molecule.

MolName	benzyl (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
MolecularFormula	C25H26N2O3
Smiles	CC(C)(C1)CC(NC(C)=C([C@@H]2c3ccncc3)C(OCc3ccccc3)=O)=C2C1=O
InChI	InChI=1S/C25H26N2O3/c1-16-21(24(29)30-15-17-7-5-4-6-8-17)22(18-9-11-26-12-10-18)23-19(27-16)13-25(2,3)14-20(23)28/h4-12,22,27H,13-15H2,1-3H3/t22-/m0/s1
InChIK	IABVJLGSZSZKSY-QFIPXVFZSA-N
TotalMolweight	402.492
Molweight	402.492
MonoisotopicMass	402.194343
CLogP	4.0245
CLogS	-4.312
H Acceptors	5
H Donors	1
TotalSurfaceArea	308.55
Relative PSA	0.18963
PolarSurfaceArea	68.29
Druglikeness	1.0584
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon	this enantiomer

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1 - benzyl (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate | 2 - benzyl (4R)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate

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