C29H30N2O5 | Cheminformatics

N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

Formula:C29H30N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is a drug-like molecule.

MolNameN-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
MolecularFormulaC29H30N2O5
SmilesCc(cc1)cc(C=C2CN(C(c(cc3OC)cc(OC)c3OC)=O)c3c(C)ccc(C)c3)c1NC2=O
InChIInChI=1S/C29H30N2O5/c1-17-8-10-23-20(11-17)13-22(28(32)30-23)16-31(24-12-18(2)7-9-19(24)3)29(33)21-14-25(34-4)27(36-6)26(15-21)35-5/h7-15H,16H2,1-6H3,(H,30,32)
InChIKFWVWWOXVWHHCHQ-UHFFFAOYSA-N
TotalMolweight486.566
Molweight486.566
MonoisotopicMass486.215473
CLogP4.6946
CLogS-6.042
H Acceptors7
H Donors1
TotalSurfaceArea378.57
Relative PSA0.18779
PolarSurfaceArea77.1
Druglikeness5.2216
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.41667
Fragments1
Non HAtoms36
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms4
Amides2
StereoCon

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