4-Methylquinoline
PubChem CID: 10285
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| Compound Synonyms | Lepidine, 4-METHYLQUINOLINE, 491-35-0, Quinoline, 4-methyl-, Cincholepidine, Lepidin, 4-Lepidine, p-Methylquinoline, 4-methyl-quinoline, gamma-Methylquinoline, CCRIS 2894, HSDB 7153, NSC 3412, AI3-24277, EINECS 207-734-2, MFCD00006784, BRN 0110926, DTXSID7047067, CHEBI:48983, .gamma.-Methylquinoline, LEPIDINE [MI], NSC-3412, 116169T3O8, DTXCID5027067, 5-20-07-00389 (Beilstein Handbook Reference), 4-methyl quinoline, Lepidine (4-Methylquinoline), pMethylquinoline, 4Lepidine, 4-lepidin, gammaMethylquinoline, UNII-116169T3O8, Quinoline, 4methyl, Lepidine, 99%, methyl-4 isoquinoleine, CHEMBL9734, SCHEMBL31559, 4-Methylquinoline, >=99%, NSC3412, BCP27150, STR06140, Tox21_301829, AKOS000119150, FM35012, PS-3771, NCGC00184238-01, NCGC00184238-02, NCGC00184238-03, NCGC00184238-04, NCGC00184238-05, NCGC00184238-06, NCGC00184238-07, NCGC00184238-08, NCGC00184238-09, NCGC00184238-10, NCGC00256086-01, CAS-491-35-0, DB-013319, L0024, NS00012990, EN300-19081, A22510, H10212, Q6527408, F0001-1281, Z104472668, 207-734-2 |
|---|---|
| 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 |
| Np Classifier Class | Pyridine alkaloids, Quinoline alkaloids |
| Deep Smiles | Ccccncc6cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylquinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H9N |
| Scaffold Graph Node Bond Level | c1ccc2ncccc2c1 |
| Inchi Key | MUDSDYNRBDKLGK-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | lepidine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 4-Methylquinoline |
| Exact Mass | 143.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 143.18 |
| 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/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3 |
| Smiles | CC1=CC=NC2=CC=CC=C12 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids, Nicotinic acid alkaloids, Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Lepidium Sativum (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172363130