N-Methylcorydaldine
PubChem CID: 303906
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| Compound Synonyms | N-Methylcorydaldine, 6514-05-2, 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one, CHEMBL504722, 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one, 2-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-one, CHEBI:67411, 6,7-Dimethoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone, TNP00337, MLS001049023, SCHEMBL11923834, 6,7-dimethoxy-2-methyl-3,4-dihydro-2H-isoquinolin-1-one, DTXSID80307685, BDIZBBGNYDRCCA-UHFFFAOYSA-N, 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one, HMS2268G03, GAA51405, BDBM50349827, HY-N10763, NSC194246, STK236401, AKOS005421370, NSC-194246, NCGC00017387-01, NCGC00017387-02, NCGC00142564-01, SMR000387036, CS-0635995, N-Methyl-6,7-dimethoxytetrahydroisoquinol-1-one, Isocarbostyril, 3,4-dihydro-6,7-dimethoxy-2-methyl-, Q27135873, 1(2H)-Isoquinolinone,4-dihydro-6,7-dimethoxy-2-methyl-, 1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-2-methyl-, 6,7-Dimethoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Deep Smiles | COcccccc6OC))))CCNC6=O))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Isoquinolines and derivatives |
| Scaffold Graph Node Level | OC1NCCC2CCCCC21 |
| Classyfire Subclass | Isoquinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q03164, P15917, O42713, P83916, O75496, P43220 |
| Iupac Name | 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H15NO3 |
| Scaffold Graph Node Bond Level | O=C1NCCc2ccccc21 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BDIZBBGNYDRCCA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4166666666666667 |
| Logs | -1.351 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.301 |
| Synonyms | n-methylcorydaldine |
| Esol Class | Soluble |
| Functional Groups | cC(=O)N(C)C, cOC |
| Compound Name | N-Methylcorydaldine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 221.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 221.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 221.25 |
| 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 |
| Esol | -2.2140871999999994 |
| Inchi | InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C1=O)OC)OC |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Arcangelisia Gusanlung (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Fumaria Indica (Plant) Rel Props:Reference:ISBN:9788185042145 - 3. Outgoing r'ship
FOUND_INto/from Fumaria Vaillantii (Plant) Rel Props:Reference:ISBN:9788172362300 - 4. Outgoing r'ship
FOUND_INto/from Hernandia Sonora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Papaver Bracteatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Thalictrum Delavayi (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Thalictrum Fendleri (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Thalictrum Minus (Plant) Rel Props:Reference:ISBN:9788185042114