6-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C19H12N5O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C19H12N5O3Cl |
| Smiles | [O-][N+](c1ccc(/C=N/Nc2nc(-c3ccccc3)c(cc(cc3)Cl)c3n2)o1)=O |
| InChI | InChI=1S/C19H12ClN5O3/c20-13-6-8-16-15(10-13)18(12-4-2-1-3-5-12)23-19(22-16)24-21-11-14-7-9-17(28-14)25(26)27/h1-11H,(H,22,23,24) |
| InChIK | NQZILGNGQLHDTH-UHFFFAOYSA-N |
| TotalMolweight | 393.789 |
| Molweight | 393.789 |
| MonoisotopicMass | 393.062867 |
| CLogP | 5.9388 |
| CLogS | -7.098 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 289.9 |
| Relative PSA | 0.30852 |
| PolarSurfaceArea | 109.13 |
| Druglikeness | 1.0033 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine | 2 - 6-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off