N,N'-bis[(Z)-quinolin-2-ylmethylideneamino]pentanediamide

Formula:C25H22N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-quinolin-2-ylmethylideneamino]pentanediamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-quinolin-2-ylmethylideneamino]pentanediamide
MolecularFormulaC25H22N6O2
SmilesO=C(CCCC(N/N=C\c1nc2ccccc2cc1)=O)N/N=C\c1nc2ccccc2cc1
InChIInChI=1S/C25H22N6O2/c32-24(30-26-16-20-14-12-18-6-1-3-8-22(18)28-20)10-5-11-25(33)31-27-17-21-15-13-19-7-2-4-9-23(19)29-21/h1-4,6-9,12-17H,5,10-11H2,(H,30,32)(H,31,33)
InChIKTUKWHCVKDHPDOI-UHFFFAOYSA-N
TotalMolweight438.49
Molweight438.49
MonoisotopicMass438.180424
CLogP4.6416
CLogS-6.388
H Acceptors8
H Donors2
TotalSurfaceArea348.96
Relative PSA0.26926
PolarSurfaceArea108.7
Druglikeness-1.2495
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69697
Fragments1
Non HAtoms33
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms3
Symmetricatoms16
Aromatic Nitrogens2
StereoCon

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