(2R)-2-quinolin-8-yl-3-[(Z)-quinolin-8-ylmethylideneamino]-1,2-dihydroquinazolin-4-one
Formula:C27H19N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2R)-2-quinolin-8-yl-3-[(Z)-quinolin-8-ylmethylideneamino]-1,2-dihydroquinazolin-4-one is a drug-like molecule.
| MolName | (2R)-2-quinolin-8-yl-3-[(Z)-quinolin-8-ylmethylideneamino]-1,2-dihydroquinazolin-4-one |
| MolecularFormula | C27H19N5O |
| Smiles | O=C(c(cccc1)c1N[C@H]1c2cccc3cccnc23)N1/N=C\c1cccc2cccnc12 |
| InChI | InChI=1S/C27H19N5O/c33-27-21-12-1-2-14-23(21)31-26(22-13-4-8-19-11-6-16-29-25(19)22)32(27)30-17-20-9-3-7-18-10-5-15-28-24(18)20/h1-17,26,31H/t26-/m1/s1 |
| InChIK | WPVWBYOJTFBRAC-AREMUKBSSA-N |
| TotalMolweight | 429.482 |
| Molweight | 429.482 |
| MonoisotopicMass | 429.15896 |
| CLogP | 4.3328 |
| CLogS | -6.045 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322.77 |
| Relative PSA | 0.19054 |
| PolarSurfaceArea | 70.48 |
| Druglikeness | 4.0366 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-2-quinolin-8-yl-3-[(Z)-quinolin-8-ylmethylideneamino]-1,2-dihydroquinazolin-4-one | 2 - (2R)-2-quinolin-8-yl-3-[(Z)-quinolin-8-ylmethylideneamino]-1,2-dihydroquinazolin-4-one
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