4,8-Dimethoxy-9H-pyrido[3,4-b]indole
PubChem CID: 11042476
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| Compound Synonyms | 4,8-Dimethoxy-9H-pyrido[3,4-b]indole, 99964-78-0, DB-348978 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 47.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | COcccccc6[nH]cc5cOC))cnc6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CNCCC12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethoxy-9H-pyrido[3,4-b]indole |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H12N2O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1cnccc12 |
| Inchi Key | XGHOPBXTZOLJBY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | picrasidine p |
| Esol Class | Soluble |
| Functional Groups | cOC, c[nH]c, cnc |
| Compound Name | 4,8-Dimethoxy-9H-pyrido[3,4-b]indole |
| Exact Mass | 228.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.25 |
| 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 |
| Inchi | InChI=1S/C13H12N2O2/c1-16-10-5-3-4-8-12-9(15-13(8)10)6-14-7-11(12)17-2/h3-7,15H,1-2H3 |
| Smiles | COC1=CC=CC2=C1NC3=CN=CC(=C23)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 Picrasma Quassioides (Plant) Rel Props:Reference:ISBN:9788172362461