N-[(Z)-(3-bromophenyl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide
Formula:C20H16N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-bromophenyl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide |
| MolecularFormula | C20H16N3OBr |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C20H16BrN3O/c21-15-5-3-4-13(10-15)12-22-24-20(25)17-11-19(14-8-9-14)23-18-7-2-1-6-16(17)18/h1-7,10-12,14H,8-9H2,(H,24,25) |
| InChIK | QCCRFIXUPOJEBM-UHFFFAOYSA-N |
| TotalMolweight | 394.271 |
| Molweight | 394.271 |
| MonoisotopicMass | 393.047673 |
| CLogP | 5.4076 |
| CLogS | -6.242 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.5 |
| Relative PSA | 0.17695 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.3146 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-cyclopropylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off