1-Methyl-9(10H)-acridinone
PubChem CID: 419816
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| Compound Synonyms | 1-Methyl-9(10H)-acridinone, 65753-71-1, methylacridone, 1-Methyl-acridone, NSC118633, SCHEMBL11032998, DTXSID90329378, CVLMVMQNJODBLJ-UHFFFAOYSA-N, 1-Methyl-9(10H)-acridinone #, NSC-118633 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | Ccccccc6c=O)cc[nH]6)cccc6 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CCCCC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-10H-acridin-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H11NO |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2ccccc12 |
| Inchi Key | CVLMVMQNJODBLJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | methylacridone |
| Esol Class | Soluble |
| Functional Groups | c=O, c[nH]c |
| Compound Name | 1-Methyl-9(10H)-acridinone |
| Exact Mass | 209.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 209.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 209.24 |
| 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/C14H11NO/c1-9-5-4-8-12-13(9)14(16)10-6-2-3-7-11(10)15-12/h2-8H,1H3,(H,15,16) |
| Smiles | CC1=C2C(=CC=C1)NC3=CC=CC=C3C2=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360818