3-[2-(1H-indol-3-yl)ethyl]-1-methylquinazoline-2,4-dione
PubChem CID: 5317828
Connections displayed (default: 10).
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| Topological Polar Surface Area | 56.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 509.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(1H-indol-3-yl)ethyl]-1-methylquinazoline-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H17N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABJKRFDXAMKDAI-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.251 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.101 |
| Compound Name | 3-[2-(1H-indol-3-yl)ethyl]-1-methylquinazoline-2,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 319.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.132 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 319.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2822901333333325 |
| Inchi | InChI=1S/C19H17N3O2/c1-21-17-9-5-3-7-15(17)18(23)22(19(21)24)11-10-13-12-20-16-8-4-2-6-14(13)16/h2-9,12,20H,10-11H2,1H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CNC4=CC=CC=C43 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients