1,2-Dimethylquinolin-4(1H)-one
PubChem CID: 316973
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| Compound Synonyms | 1,2-Dimethylquinolin-4(1H)-one, 6760-40-3, 1,2-dimethylquinolin-4-one, 1,2-Dimethyl-4-quinolone, NSC246054, SCHEMBL7489417, DTXSID80311848, RYQZTNLIYMUGQV-UHFFFAOYSA-N, 1,2-Dimethyl-4(1H)-quinolinone #, AKOS000280187, NSC-246054, SB68133, DS-008227 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dimethylquinolin-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.1 |
| Molecular Formula | C11H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | RYQZTNLIYMUGQV-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -1.725 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.404 |
| Compound Name | 1,2-Dimethylquinolin-4(1H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 173.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 173.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5054637692307686 |
| Inchi | InChI=1S/C11H11NO/c1-8-7-11(13)9-5-3-4-6-10(9)12(8)2/h3-7H,1-2H3 |
| Smiles | CC1=CC(=O)C2=CC=CC=C2N1C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Limonium Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients