N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
Formula:C27H22N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide |
| MolecularFormula | C27H22N3O2Br |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\c(cccc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C27H22BrN3O2/c28-21-8-5-6-18(14-21)17-33-26-11-4-1-7-20(26)16-29-31-27(32)23-15-25(19-12-13-19)30-24-10-3-2-9-22(23)24/h1-11,14-16,19H,12-13,17H2,(H,31,32) |
| InChIK | UBODIQBSDGAWCU-UHFFFAOYSA-N |
| TotalMolweight | 500.395 |
| Molweight | 500.395 |
| MonoisotopicMass | 499.089538 |
| CLogP | 6.7557 |
| CLogS | -7.583 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.02 |
| Relative PSA | 0.16326 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.9454 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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