6-Hydroxy-6-(2-oxodecyl)indolo[2,1-b]quinazolin-12-one
PubChem CID: 24970646
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| Compound Synonyms | CHEMBL509181 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 675.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-6-(2-oxodecyl)indolo[2,1-b]quinazolin-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C25H28N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FVKQQBYLKYVOGQ-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.522 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.475 |
| Compound Name | 6-Hydroxy-6-(2-oxodecyl)indolo[2,1-b]quinazolin-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.21 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.21 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 404.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.149128666666667 |
| Inchi | InChI=1S/C25H28N2O3/c1-2-3-4-5-6-7-12-18(28)17-25(30)20-14-9-11-16-22(20)27-23(29)19-13-8-10-15-21(19)26-24(25)27/h8-11,13-16,30H,2-7,12,17H2,1H3 |
| Smiles | CCCCCCCCC(=O)CC1(C2=CC=CC=C2N3C1=NC4=CC=CC=C4C3=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaius Mishmensis (Plant) Rel Props:Source_db:npass_chem_all