(6Z)-6-[(4-chlorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
Formula:C19H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[(4-chlorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one is a drug-like molecule.
| MolName | (6Z)-6-[(4-chlorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one |
| MolecularFormula | C19H15N2OCl |
| Smiles | O=C1N(CCC/C2=C/c(cc3)ccc3Cl)C2=Nc2c1cccc2 |
| InChI | InChI=1S/C19H15ClN2O/c20-15-9-7-13(8-10-15)12-14-4-3-11-22-18(14)21-17-6-2-1-5-16(17)19(22)23/h1-2,5-10,12H,3-4,11H2 |
| InChIK | NPHBDWNZFSNXCW-UHFFFAOYSA-N |
| TotalMolweight | 322.794 |
| Molweight | 322.794 |
| MonoisotopicMass | 322.08729 |
| CLogP | 3.9421 |
| CLogS | -4.459 |
| H Acceptors | 3 |
| TotalSurfaceArea | 238.45 |
| Relative PSA | 0.11784 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (6Z)-6-[(4-chlorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one | 2 - (6Z)-6-[(4-chlorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
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