2-(4-Hydroxyphenyl)-1-methylquinolin-4-one
PubChem CID: 11043197
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| Compound Synonyms | CHEMBL276760, SCHEMBL9390355 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9BUF5, P0A0J7 |
| Iupac Name | 2-(4-hydroxyphenyl)-1-methylquinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVVGAXUISDFFMZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.618 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.772 |
| Compound Name | 2-(4-Hydroxyphenyl)-1-methylquinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 251.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 251.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 251.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.550724894736842 |
| Inchi | InChI=1S/C16H13NO2/c1-17-14-5-3-2-4-13(14)16(19)10-15(17)11-6-8-12(18)9-7-11/h2-10,18H,1H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C=C1C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Skimmia Reevesiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all