7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-piperidin-1-ylquinazoline

Formula:C21H19N4O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-piperidin-1-ylquinazoline is a drug-like molecule.

MolName	7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-piperidin-1-ylquinazoline
MolecularFormula	C21H19N4O2Cl
Smiles	[O-][N+](c1ccc(/C=C/c2nc(N3CCCCC3)c(ccc(Cl)c3)c3n2)cc1)=O
InChI	InChI=1S/C21H19ClN4O2/c22-16-7-10-18-19(14-16)23-20(24-21(18)25-12-2-1-3-13-25)11-6-15-4-8-17(9-5-15)26(27)28/h4-11,14H,1-3,12-13H2
InChIK	HUKFLSPHJOHQSM-UHFFFAOYSA-N
TotalMolweight	394.861
Molweight	394.861
MonoisotopicMass	394.119653
CLogP	4.3786
CLogS	-6.246
H Acceptors	6
TotalSurfaceArea	296.33
Relative PSA	0.18867
PolarSurfaceArea	74.84
Druglikeness	-4.5577
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-piperidin-1-ylquinazoline | 2 - 7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-piperidin-1-ylquinazoline

Request More Details | 7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-piperidin-1-ylquinazoline

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments