N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-pyridin-4-ylquinoline-4-carboxamide

Formula:C27H16N4O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-pyridin-4-ylquinoline-4-carboxamide is a drug-like molecule.

MolName	N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-pyridin-4-ylquinoline-4-carboxamide
MolecularFormula	C27H16N4O2
Smiles	O=C(c1cc(-c2ccncc2)nc2ccccc12)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O
InChI	InChI=1S/C27H16N4O2/c32-26-20-9-4-6-17-5-3-8-19(24(17)20)25(26)30-31-27(33)21-15-23(16-11-13-28-14-12-16)29-22-10-2-1-7-18(21)22/h1-15H,(H,31,33)
InChIK	PPCJTWOYFWSBIV-UHFFFAOYSA-N
TotalMolweight	428.45
Molweight	428.45
MonoisotopicMass	428.127326
CLogP	4.8992
CLogS	-7.606
H Acceptors	6
H Donors	1
TotalSurfaceArea	315.93
Relative PSA	0.2247
PolarSurfaceArea	84.31
Druglikeness	4.2011
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-pyridin-4-ylquinoline-4-carboxamide | 2 - N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-pyridin-4-ylquinoline-4-carboxamide

Request More Details | N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-2-pyridin-4-ylquinoline-4-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments