2-Methylquinoline
PubChem CID: 7060
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| Compound Synonyms | 2-METHYLQUINOLINE, Quinaldine, 91-63-4, Khinaldin, Chinaldine, Quinoline, 2-methyl-, Methylquinoline, 2-Methyl-quinoline, 2-Methylchinolin, CCRIS 1155, NSC 3397, EINECS 202-085-1, BRN 0110309, AI3-11528, WLN: T66 BNJ C1, CHEMBL194931, DVG30M0M87, DTXSID3040271, NSC3397, 5-20-07-00375 (Beilstein Handbook Reference), NSC-3397, MFCD00006756, 27601-00-9, 2-Methylchinolin [Czech], Quinoline, methyl-, UNII-DVG30M0M87, Quinaldine (8CI), 2-Methylquinoline, Khinaldin, NSC 3397, alpha-Methylquinoline, SBB008939, .alpha.-Methylquinoline, DIMETHYLQUINOLINES, Quinaldine, >=95%, QUINALDINE [MI], LS-139877, SCHEMBL56360, Q2125_SIGMA, SCHEMBL7411349, DTXCID1020271, 22550_FLUKA, CHEBI:132813, Quinaldine, >=95.0% (GC), AIDS020531, HMS1783C21, AIDS-020531, BCP21021, Tox21_302026, 2-Methylquinoline (ACD/Name 4.0), BDBM50159277, STL268892, ZINC01081286, 2-Methylquinoline, Khinaldin, Chinaldine, AKOS000119149, AKOS016371196, FS-4097, 2-METHYL-QUINOLINE (QUINALDINE), CAS-91-63-4, NCGC00188127-01, NCGC00255440-01, DB-057266, NS00021384, Q0005, EN300-17415, A26316, Quinaldine, analytical standard, >=90% (GC), 2-Methylquinoline 100 microg/mL in Acetonitrile, Q415376, Z56926563, F0001-2219, InChI=1/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H |
|---|---|
| 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 | Quinazoline alkaloids |
| Deep Smiles | Ccccccn6)cccc6 |
| 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 | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylquinoline |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H9N |
| Scaffold Graph Node Bond Level | c1ccc2ncccc2c1 |
| Inchi Key | SMUQFGGVLNAIOZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | Methylquinoline, Quinaldine sulfate, Quinate, Quinaldine sulfuric acid, Quinaldine sulphate, Quinaldine sulphuric acid, Quinic acid, 2-Methyl-quinoline, 2-Methylchinolin, 2-Methylquinoline, 2-Methylquinoline (acd/name 4.0), alpha-Methylquinoline, Chinaldine, Khinaldin, Quinaldine blue, 2-Methylquinoline mesylate, 2-Methylquinoline monosulfate, 2-Methylquinoline hydrochloride, 2-Methylquinoline sulfate, 2-methyl-quinoline, quinaldine |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2-Methylquinoline |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3 |
| Smiles | CC1=NC2=CC=CC=C2C=C1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Quinolines and derivatives |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jasminum Officinale (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Reference:ISBN:9788172360818; ISBN:9788185042084