dimethyl 5-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate

Formula:C26H19N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none dimethyl 5-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate is not a drug-like molecule.

MolName	dimethyl 5-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
MolecularFormula	C26H19N2O5Cl
Smiles	COC(c1cc(NC(c2cc(-c(cccc3)c3Cl)nc3ccccc23)=O)cc(C(OC)=O)c1)=O
InChI	InChI=1S/C26H19ClN2O5/c1-33-25(31)15-11-16(26(32)34-2)13-17(12-15)28-24(30)20-14-23(19-8-3-5-9-21(19)27)29-22-10-6-4-7-18(20)22/h3-14H,1-2H3,(H,28,30)
InChIK	UMUQTSJAJYTERG-UHFFFAOYSA-N
TotalMolweight	474.899
Molweight	474.899
MonoisotopicMass	474.09825
CLogP	5.3053
CLogS	-6.63
H Acceptors	7
H Donors	1
TotalSurfaceArea	350.79
Relative PSA	0.23248
PolarSurfaceArea	94.59
Druglikeness	-1.5477
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.44118
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon

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