C24H17N2O2Cl3 | Cheminformatics

2,4-dichloro-N-[3-(4-chlorophenyl)-1-ethyl-4-oxoquinolin-2-yl]benzamide

Formula:C24H17N2O2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dichloro-N-[3-(4-chlorophenyl)-1-ethyl-4-oxoquinolin-2-yl]benzamide is not a drug-like molecule.

MolName2,4-dichloro-N-[3-(4-chlorophenyl)-1-ethyl-4-oxoquinolin-2-yl]benzamide
MolecularFormulaC24H17N2O2Cl3
SmilesCCN(c1c2cccc1)C(NC(c(ccc(Cl)c1)c1Cl)=O)=C(c(cc1)ccc1Cl)C2=O
InChIInChI=1S/C24H17Cl3N2O2/c1-2-29-20-6-4-3-5-18(20)22(30)21(14-7-9-15(25)10-8-14)23(29)28-24(31)17-12-11-16(26)13-19(17)27/h3-13H,2H2,1H3,(H,28,31)
InChIKUFPGYVIJCASLLV-UHFFFAOYSA-N
TotalMolweight471.77
Molweight471.77
MonoisotopicMass470.035559
CLogP6.3409
CLogS-8.576
H Acceptors4
H Donors1
TotalSurfaceArea331.74
Relative PSA0.12386
PolarSurfaceArea49.41
Druglikeness3.849
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.45161
Fragments1
Non HAtoms31
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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