6-Hydroxy-6-(3-oxopentan-2-yl)indolo[2,1-b]quinazolin-12-one
PubChem CID: 24970701
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| Compound Synonyms | CHEMBL460270 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-6-(3-oxopentan-2-yl)indolo[2,1-b]quinazolin-12-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C20H18N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRSSDHONRPUAMT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.88 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.573 |
| Compound Name | 6-Hydroxy-6-(3-oxopentan-2-yl)indolo[2,1-b]quinazolin-12-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.132 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.614225 |
| Inchi | InChI=1S/C20H18N2O3/c1-3-17(23)12(2)20(25)14-9-5-7-11-16(14)22-18(24)13-8-4-6-10-15(13)21-19(20)22/h4-12,25H,3H2,1-2H3 |
| Smiles | CCC(=O)C(C)C1(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:cmaup_ingredients;npass_chem_all