2,5-Dimethylquinoline
PubChem CID: 33962
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| Compound Synonyms | 2,5-dimethylquinoline, 26190-82-9, Quinoline, 2,5-dimethyl-, DTXSID90275088, SCHEMBL826491, DTXCID50226536, AKOS006306898, AT13138, SB68159, BS-49622, DA-19516, CS-0336135 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | Ccccccn6)cccc6C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethylquinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H11N |
| Scaffold Graph Node Bond Level | c1ccc2ncccc2c1 |
| Inchi Key | HQMYTNVPZHJGDX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,5-dimethyl-3-methylene-1,5-heptadiene |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2,5-Dimethylquinoline |
| Exact Mass | 157.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 157.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H11N/c1-8-4-3-5-11-10(8)7-6-9(2)12-11/h3-7H,1-2H3 |
| Smiles | CC1=C2C=CC(=NC2=CC=C1)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279