3S*,4R*-dihydroxy-4-(4'-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone
PubChem CID: 25768659
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| Compound Synonyms | 3S*,4R*-dihydroxy-4-(4'-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone, (3R,4S)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one, CHEBI:220735 |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4S)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C16H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VJLVPUFVTPJHDI-HOCLYGCPSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.32 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.808 |
| Compound Name | 3S*,4R*-dihydroxy-4-(4'-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 285.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6431109428571427 |
| Inchi | InChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16-/m0/s1 |
| Smiles | COC1=CC=C(C=C1)[C@]2([C@H](C(=O)NC3=CC=CC=C32)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Pachycarpa (Plant) Rel Props:Source_db:cmaup_ingredients