6-Hydroxy-6-phenacyl-indolo[2,1-b]quinazolin-12-one
PubChem CID: 24970704
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| Compound Synonyms | CHEMBL459039, 6-hydroxy-6-phenacyl-indolo[2,1-b]quinazolin-12-one |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 683.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-6-phenacylindolo[2,1-b]quinazolin-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C23H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWQHXQCQIRAPKU-UHFFFAOYSA-N |
| Fcsp3 | 0.0869565217391304 |
| Logs | -4.389 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.343 |
| Compound Name | 6-Hydroxy-6-phenacyl-indolo[2,1-b]quinazolin-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.323558971428572 |
| Inchi | InChI=1S/C23H16N2O3/c26-20(15-8-2-1-3-9-15)14-23(28)17-11-5-7-13-19(17)25-21(27)16-10-4-6-12-18(16)24-22(23)25/h1-13,28H,14H2 |
| Smiles | C1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N4C2=NC5=CC=CC=C5C4=O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaius Mishmensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all