10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
PubChem CID: 14558296
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2C1CCC1C3CCCCC3CC21 |
| Np Classifier Class | Corynanthe type |
| Deep Smiles | COcccccc6)[nH]c-cccC)cc=O)n6CCc%13%10 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC1CCCC2C3NC4CCCCC4C3CCN12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 525.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H16N2O2 |
| Scaffold Graph Node Bond Level | O=c1cccc2n1CCc1c-2[nH]c2ccccc12 |
| Inchi Key | LKLLEBHPTWTLGA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | harmalacinine |
| Esol Class | Soluble |
| Functional Groups | c=O, cOC, c[nH]c, cn(c)C |
| Compound Name | 10-methoxy-2-methyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one |
| Exact Mass | 280.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.121 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.32 |
| 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/C17H16N2O2/c1-10-7-15-17-13(5-6-19(15)16(20)8-10)12-4-3-11(21-2)9-14(12)18-17/h3-4,7-9,18H,5-6H2,1-2H3 |
| Smiles | CC1=CC(=O)N2CCC3=C(C2=C1)NC4=C3C=CC(=C4)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Reference:ISBN:9788172360818