8,13,13b,14-Tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
PubChem CID: 13970999
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| Compound Synonyms | CHEMBL465207, AKOS015965190, AC-20301, 8,13,13b,14-Tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 59863-00-2 |
|---|---|
| Topological Polar Surface Area | 48.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H15N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGXSQYLWBYMSFV-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.626 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.242 |
| Compound Name | 8,13,13b,14-Tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 289.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.122 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 289.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.003241054545455 |
| Inchi | InChI=1S/C18H15N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,17,19-20H,9-10H2 |
| Smiles | C1CN2C(C3=C1C4=CC=CC=C4N3)NC5=CC=CC=C5C2=O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phellodendron Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients