1H-Pyrrolo[2,1-b]quinazolin-9-one, 3-hydroxy-2,3-dihydro-
PubChem CID: 10242
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | VASICINONE, CHEMBL1864065, 3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one, (-)-Vasicinone, l-Vasicinone, l-Vazicinon, 1H-Pyrrolo[2,1-b]quinazolin-9-one, 3-hydroxy-2,3-dihydro-, 3-hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one, Oprea1_477261, MLS001048974, MEGxp0_000490, SCHEMBL3892901, ACon1_000672, SDIVYZXRQHWCKF-UHFFFAOYSA-N, HMS1648K16, HMS2270I06, HMS3561H13, BDBM50594708, STL443724, AKOS004110717, AKOS021970056, SDCCGMLS-0065231.P001, NCGC00169472-01, NCGC00169472-02, SMR000386992, NS00018022, AH-214/20712002, BRD-A16720449-001-01-9, 3-HYDROXY-1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-9-ONE |
|---|---|
| Topological Polar Surface Area | 52.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9UNA4, E9BF75, I6X8D2, P9WNZ1, Q8IDJ8, Q4DA54, P9WFT3, P9WPC3, n.a., A4I591 |
| Iupac Name | 3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one |
| Prediction Hob | 1.0 |
| Class | Diazanaphthalenes |
| Xlogp | 0.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzodiazines |
| Molecular Formula | C11H10N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDIVYZXRQHWCKF-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -1.644 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.594 |
| Compound Name | 1H-Pyrrolo[2,1-b]quinazolin-9-one, 3-hydroxy-2,3-dihydro- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 202.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.500553933333333 |
| Inchi | InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2 |
| Smiles | C1CN2C(=NC3=CC=CC=C3C2=O)C1O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Quinazolines |
- 1. Outgoing r'ship
FOUND_INto/from Adhatoda Vasica (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all