1-Methyl-3,4-dihydroisoquinoline
PubChem CID: 231502
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| Compound Synonyms | 1-Methyl-3,4-dihydroisoquinoline, 2412-58-0, NSC27893, DTXSID30946947, 1MeDIQ compound, MFCD00047648, SCHEMBL30310, 1-methyl-3,4-dihyroisoquinoline, DTXCID80929301, 1-methyl-3,4 dihydroisoquinoline, 1-methyl-3,4-dihydro-isoquinoline, CAA41258, NSC-27893, AKOS006229266, (+/-) 1-methyl-3,4-dihydroisoquinoline, DB-354524, DS-001046, CS-0152737, ISOQUINOLINE,3,4-DIHYDRO-1-METHYL-, EN300-182056, 800-807-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | CC=NCCcc6cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Dihydroisoquinolines |
| Scaffold Graph Node Level | C1CCC2CNCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-3,4-dihydroisoquinoline |
| Class | Dihydroisoquinolines |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H11N |
| Scaffold Graph Node Bond Level | C1=NCCc2ccccc21 |
| Inchi Key | JZZLDIIDMFCOGF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1MeDIQ compound, 1-methyl-3,4-dihydropyrrolopyrazine |
| Esol Class | Soluble |
| Functional Groups | cC(C)=NC |
| Compound Name | 1-Methyl-3,4-dihydroisoquinoline |
| Kingdom | Organic compounds |
| Exact Mass | 145.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 145.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 145.2 |
| 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/C10H11N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5H,6-7H2,1H3 |
| Smiles | CC1=NCCC2=CC=CC=C12 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dihydroisoquinolines |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279