N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

Formula:C22H18N4O Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is a drug-like molecule.

MolName	N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
MolecularFormula	C22H18N4O
Smiles	O=C(c1cc(-c2ncccc2)nc2ccccc12)N/N=C1/C2C=CCC2C1
InChI	InChI=1S/C22H18N4O/c27-22(26-25-20-12-14-6-5-8-15(14)20)17-13-21(19-10-3-4-11-23-19)24-18-9-2-1-7-16(17)18/h1-5,7-11,13-15H,6,12H2,(H,26,27)
InChIK	XWJIEOOWGPKFTR-UHFFFAOYSA-N
TotalMolweight	354.412
Molweight	354.412
MonoisotopicMass	354.148061
CLogP	3.7366
CLogS	-4.872
H Acceptors	5
H Donors	1
TotalSurfaceArea	269.34
Relative PSA	0.21516
PolarSurfaceArea	67.24
Druglikeness	2.3365
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon	unknown chirality

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1 - N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide | 2 - N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

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