2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine
Molecular Formula : C21H24N5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine is a drug-like molecule.
MolName : 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinazolin-4-amine |
MolecularFormula : C21H24N5 |
Smiles : Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc12 |
InChI : InChI=1S/C21H23N5/c22-20-18-10-4-5-11-19(18)23-21(24-20)26-15-13-25(14-16-26)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H2,22,23,24)/p+1 |
InChIK : QBIAHEQRVFDFQK-UHFFFAOYSA-O |
TotalMolweight : 346.457 |
Molweight : 346.457 |
MonoisotopicMass : 346.20317 |
CLogP : 1.3049 |
CLogS : -4.43 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 290.1 |
Relative PSA : 0.20114 |
PolarSurfaceArea : 59.48 |
Druglikeness : 1.55 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.65385 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
Amines : 1 |
AlkylAmines : 1 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 3 |
StereoCon : |