N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C30H22N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C30H22N3O2Br |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cccc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C30H22BrN3O2/c31-24-13-8-9-21(17-24)20-36-29-16-7-4-12-23(29)19-32-34-30(35)26-18-28(22-10-2-1-3-11-22)33-27-15-6-5-14-25(26)27/h1-19H,20H2,(H,34,35) |
| InChIK | TXUSLYIBNKZXFH-UHFFFAOYSA-N |
| TotalMolweight | 536.428 |
| Molweight | 536.428 |
| MonoisotopicMass | 535.089538 |
| CLogP | 7.3411 |
| CLogS | -8.38 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 382.26 |
| Relative PSA | 0.14906 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide | 2 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off