Methylmethaqualone
PubChem CID: 63382
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| Compound Synonyms | Methylmethaqualone, 1915-80-6, 4(3H)-Quinazolinone, 3-(2,4-dimethylphenyl)-2-methyl-, 3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one, 4(3H)-Quinazolinone, 2-methyl-3-(2,4-xylyl)-, 3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3h)-one, 842OA0464Q, QZH-2, Ro 325, B 192, BRN 0887486, UNII-842OA0464Q, 2-Methyl-3-(2,4-xylyl)-4(3H)-quinazolinone, 2-Methyl-3-(2,4-dimethylphenyl)-4-quinazolone, 2-Methyl-3-(2',4'-dimethylphenyl)-4-chinazolinon [German], MLS000332194, 2-Methyl-3-(2',4'-dimethylphenyl)-4-chinazolinon, SCHEMBL1551501, CHEMBL1577701, DTXSID00172675, HMS2789D08, BAA91580, RO-325, STK557415, AKOS005484837, NCGC00246503-01, SMR000434865, 2-methyl-3-(2,4-dimethylphenyl)4-quinazolone, Q13570332, 3-(2,4-Dimethyl-phenyl)-2-methyl-3H-quinazolin-4-one, 4-methyl Methaqualone, 4(3H)-Quinazolinone, 3-(2,4-dimethylphenyl)-2-methyl-, 4(3H)-Quinazolinone, 2-methyl-3-(2,4-xylyl)- (6CI,7CI,8CI), 3-(2,4-Dimethylphenyl)-2-methylquinazolin-4-3H-one, MMQ, 3-(2,4-dimethylphenyl)-2-methyl-4(3H)-quinazolinone |
|---|---|
| Topological Polar Surface Area | 32.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, Q9UIF8, Q9NUW8 |
| Iupac Name | 3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT94 |
| Xlogp | 2.9 |
| Molecular Formula | C17H16N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPMDMUROZIYIIM-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.779 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.791 |
| Compound Name | Methylmethaqualone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1485335999999995 |
| Inchi | InChI=1S/C17H16N2O/c1-11-8-9-16(12(2)10-11)19-13(3)18-15-7-5-4-6-14(15)17(19)20/h4-10H,1-3H3 |
| Smiles | CC1=CC(=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Swertia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all