2,8-Dihydroxy-4-quinolinecarboxylic acid
PubChem CID: 13988328
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 30536-55-1, Zeanic acid, 2,8-dihydroxy-4-quinolinecarboxylic acid, 8-HYDROXY-2-OXO-1H-QUINOLINE-4-CARBOXYLIC ACID, 1,2-Dihydro-8-hydroxy-2-oxo-4-quinolinecarboxylic acid, 4-Quinolinecarboxylic acid, 1,2-dihydro-8-hydroxy-2-oxo-, JL3EK47T4D, 8-Hydroxy-2-oxo-1,2-dihydroquinoline-4-carboxylic acid, 8-Oxidanyl-2-oxidanylidene-1H-quinoline-4-carboxylic acid, UNII-JL3EK47T4D, 2,8-Dihydroxycinchoninic acid, DTXSID30553857, CHEBI:173574, AKOS027475903, DB-345498, EN300-748984, 2,8-DIHYDROXYQUINOLINE-4-CARBOXYLIC ACID, 8-Hydroxy-2(1H)-quinolinone-4-carboxylic acid, Z3244954150 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 86.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | OC=O)ccc=O)[nH]cc6cccc6O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Quinolines and derivatives |
| Description | Isolated from corn steep liquor. Zeanic acid is found in cereals and cereal products. |
| Scaffold Graph Node Level | OC1CCC2CCCCC2N1 |
| Classyfire Subclass | Quinoline carboxylic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-2-oxo-1H-quinoline-4-carboxylic acid |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Quinoline carboxylic acids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H7NO4 |
| Scaffold Graph Node Bond Level | O=c1ccc2ccccc2[nH]1 |
| Inchi Key | DVEVPRIOUKVFAM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 1,2-Dihydro-8-hydroxy-2-oxo-4-quinolinecarboxylic acid, 2,8-Dihydroxycinchoninic acid, 8-Hydroxy-2(1H)-quinolinone-4-carboxylic acid, Zeanic acid, Zeanate, 1,2-dihydro-8-Hydroxy-2-oxo-4-quinolinecarboxylic acid, 2,8-Dihydroxyquinoline-4-carboxylate, zeanic acid |
| Esol Class | Very soluble |
| Functional Groups | c=O, cC(=O)O, cO, c[nH]c |
| Compound Name | 2,8-Dihydroxy-4-quinolinecarboxylic acid |
| Kingdom | Organic compounds |
| Exact Mass | 205.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.038 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 205.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H7NO4/c12-7-3-1-2-5-6(10(14)15)4-8(13)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) |
| Smiles | C1=CC2=C(C(=C1)O)NC(=O)C=C2C(=O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Quinoline carboxylic acids |
| Np Classifier Superclass | Tryptophan alkaloids, Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Reference:ISBN:9788172363093