6-Hydroxy-6-(2-oxocyclopentyl)indolo[2,1-b]-quinazolin-12-one
PubChem CID: 24970647
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| Compound Synonyms | CHEMBL514757, 6-hydroxy-6-(2-oxocyclopentyl)indolo[2,1-b]-quinazolin-12-one |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-6-(2-oxocyclopentyl)indolo[2,1-b]quinazolin-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C20H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NRHPRGPVMBPMKF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.135 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.483 |
| Compound Name | 6-Hydroxy-6-(2-oxocyclopentyl)indolo[2,1-b]-quinazolin-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 332.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0785258 |
| Inchi | InChI=1S/C20H16N2O3/c23-17-11-5-8-14(17)20(25)13-7-2-4-10-16(13)22-18(24)12-6-1-3-9-15(12)21-19(20)22/h1-4,6-7,9-10,14,25H,5,8,11H2 |
| Smiles | C1CC(C(=O)C1)C2(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