8-Methyl-7-propanoylindolizino[1,2-b]quinolin-9(11h)-one
PubChem CID: 194006
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | MAPPICINE KETONE, 55854-89-2, 8-methyl-7-propanoylindolizino[1,2-b]quinolin-9(11h)-one, 8-methyl-7-propanoyl-11H-indolizino[1,2-b]quinolin-9-one, Nothapodytine B, 8-Methyl-7-propionylindolizino[1,2-b]quinolin-9(11H)-one, SCHEMBL5862656, DTXSID90971255, QHTFEANXLNNBOX-UHFFFAOYSA-N, 8-methyl-7-propionylindolizino [1,2-b]quinoline-9-(11H)-one, 8-methyl-7-propionylindolizino[1,2-b]quinoline-9-(11H)-one, 8-methyl-7-(1-oxopropyl)indolizino[1,2-b]quinolin-9(11H)-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2C1CC1CC3CCCCC3CC12 |
| Np Classifier Class | Pyrroloquinoline alkaloids |
| Deep Smiles | CCC=O)ccc-cncccccc6cc%10Cn%13c=O)c%17C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1CCCC2C3NC4CCCCC4CC3CN12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methyl-7-propanoyl-11H-indolizino[1,2-b]quinolin-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H16N2O2 |
| Scaffold Graph Node Bond Level | O=c1cccc2n1Cc1cc3ccccc3nc1-2 |
| Inchi Key | QHTFEANXLNNBOX-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | nothapodytin b (mappicine ketone) |
| Esol Class | Soluble |
| Functional Groups | c=O, cC(C)=O, cn(c)C, cnc |
| Compound Name | 8-Methyl-7-propanoylindolizino[1,2-b]quinolin-9(11h)-one |
| Exact Mass | 304.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 304.3 |
| 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/C19H16N2O2/c1-3-17(22)14-9-16-18-13(10-21(16)19(23)11(14)2)8-12-6-4-5-7-15(12)20-18/h4-9H,3,10H2,1-2H3 |
| Smiles | CCC(=O)C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)C |
| 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 Nothapodytes Nimmoniana (Plant) Rel Props:Reference:ISBN:9770972795006