Acanthicifoline
PubChem CID: 442503
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| Compound Synonyms | Acanthicifoline, 76193-60-7, 5-methoxy-1-methyl-1,4-dihydro-2,7-naphthyridin-3(2H)-one, C09907, CHEBI:2374, DTXSID90331850, 5-methoxy-1-methyl-2,4-dihydro-1H-2,7-naphthyridin-3-one, Q27105649 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | COccnccc6CC=O)NC6C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | OC1CC2CCNCC2CN1 |
| Classyfire Subclass | Naphthyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-1-methyl-2,4-dihydro-1H-2,7-naphthyridin-3-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12N2O2 |
| Scaffold Graph Node Bond Level | O=C1Cc2ccncc2CN1 |
| Inchi Key | JSJALGZAHYXCKU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-methyl-1,2,3,4-tetrahydro-5-methoxy-2,7-naphthyridin-3-one (acanthicifoline), acanthicifoline |
| Esol Class | Very soluble |
| Functional Groups | CNC(C)=O, cOC, cnc |
| Compound Name | Acanthicifoline |
| Exact Mass | 192.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H12N2O2/c1-6-8-4-11-5-9(14-2)7(8)3-10(13)12-6/h4-6H,3H2,1-2H3,(H,12,13) |
| Smiles | CC1C2=CN=CC(=C2CC(=O)N1)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Acanthus Ilicifolius (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481; ISBN:9788172361792; ISBN:9788185042114