N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]pyridine-4-carboxamide
Formula:C18H13N4O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C18H13N4O3Cl |
| Smiles | O=C(c1ccncc1)N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCCO1 |
| InChI | InChI=1S/C18H13ClN4O3/c19-17-13(10-21-23-18(24)11-1-3-20-4-2-11)7-12-8-15-16(9-14(12)22-17)26-6-5-25-15/h1-4,7-10H,5-6H2,(H,23,24) |
| InChIK | QXDHPFIQRPSOST-UHFFFAOYSA-N |
| TotalMolweight | 368.779 |
| Molweight | 368.779 |
| MonoisotopicMass | 368.067618 |
| CLogP | 3.1989 |
| CLogS | -4.313 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 268.55 |
| Relative PSA | 0.29026 |
| PolarSurfaceArea | 85.7 |
| Druglikeness | -2.8286 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]pyridine-4-carboxamide
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