N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C27H24N4OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C27H24N4OCl2 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cc1)ccc1N(CCCl)CCCl |
| InChI | InChI=1S/C27H24Cl2N4O/c28-14-16-33(17-15-29)22-12-10-20(11-13-22)19-30-32-27(34)24-18-26(21-6-2-1-3-7-21)31-25-9-5-4-8-23(24)25/h1-13,18-19H,14-17H2,(H,32,34) |
| InChIK | ZPWLEHJLEADNJX-UHFFFAOYSA-N |
| TotalMolweight | 491.421 |
| Molweight | 491.421 |
| MonoisotopicMass | 490.132715 |
| CLogP | 6.4354 |
| CLogS | -7.643 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 376.29 |
| Relative PSA | 0.13428 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 7.3664 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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