1-Methyl-4(1H)-quinolinimine
PubChem CID: 3083764
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| Compound Synonyms | Alkaloid X, 1-Methyl-4(1H)-quinolinimine, ECHINOPSIDINE, 4(1H)-Quinolinimine, 1-methyl-, U3WB825N39, 2400-75-1, UNII-U3WB825N39, Quinoline, 1,4-dihydro-4-imino-1-methyl-, 1-methylquinolin-4-imine, Equinopsidine, NoName_3147, 1-methylquinolin-4-one imine, SCHEMBL7797520, CHEMBL3276569, DTXSID60902612, 4-Imino-1-methyl-1,4-dihydroquinoline |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 27.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | Cnccc=N)cc6cccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | NC1CCNC2CCCCC12 |
| Classyfire Subclass | Hydroquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylquinolin-4-imine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10N2 |
| Scaffold Graph Node Bond Level | N=c1cc[nH]c2ccccc12 |
| Inchi Key | AZHUOPNKXMFIAA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | echinopsidine |
| Esol Class | Very soluble |
| Functional Groups | c=N, cn(c)C |
| Compound Name | 1-Methyl-4(1H)-quinolinimine |
| Exact Mass | 158.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 158.2 |
| 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/C10H10N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-7,11H,1H3 |
| Smiles | CN1C=CC(=N)C2=CC=CC=C21 |
| 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 Echinops Echinatus (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Echinops Niveus (Plant) Rel Props:Reference:ISBN:9770972795006