6-methoxy-4-methylbenzo[g]quinoline-2,5,10(1H)-trione
PubChem CID: 49831442
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| Compound Synonyms | 5-O-Methylmarcanine D, CHEMBL1269160, CHEBI:70648, BDBM50328695, Q27138981, 6-methoxy-4-methylbenzo[g]quinoline-2,5,10(1H)-trione |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 572.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42275 |
| Iupac Name | 6-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C15H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMXHYKPAYOGDPO-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.92 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.815 |
| Compound Name | 6-methoxy-4-methylbenzo[g]quinoline-2,5,10(1H)-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.069 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 269.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4308872 |
| Inchi | InChI=1S/C15H11NO4/c1-7-6-10(17)16-13-11(7)15(19)12-8(14(13)18)4-3-5-9(12)20-2/h3-6H,1-2H3,(H,16,17) |
| Smiles | CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)C=CC=C3OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all