2,4-Dihydroxyquinazoline
PubChem CID: 64048
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| Compound Synonyms | Benzoyleneurea, 86-96-4, quinazoline-2,4(1H,3H)-dione, 2,4(1H,3H)-Quinazolinedione, Quinazoline-2,4-diol, 1H-Quinazoline-2,4-dione, 2,4-Dihydroxyquinazoline, Quinazolinedione, Benzouracil, Quinazoline-2,4-dione, Urea, benzoylene-, 1,2,3,4-Tetrahydroquinazoline-2,4-dione, 2-Keto-4-quinazolinone, 2,4-Dioxotetrahydroquinazoline, (1H,3H)-Quinazoline-2,4-dione, NSC 2108, MFCD00006699, 1094158-39-0, (1H,3H)Quinazoline dione-2,4, EINECS 201-712-6, 2,4-Quinazolinedione, (1H,3H)Quinazoline dione-2,4 [French], AI3-28016, Y-THYMINE, NSC-2108, 18K00A531C, 2,4-QUINAZOLINEDIOL, CHEMBL421646, 1~{H}-quinazoline-2,4-dione, DTXSID30235343, 1,2,3,4-tetrahydro-2,4-dioxoquinazoline, benzoylene urea, 1H,3H-quinazoline-2,4-dione, hydroxyquinazolone, hydroxyquinazolinone, 4-hydroxyquinazolone, quinazolin-2,4-diol, Benzoyleneurea, 97%, 2,3H)-Quinazolinedione, Maybridge1_000647, Fenazaquin metabolite NN5, WLN: T66 BMVMVJ, quinazoline, 2,4-hydroxy-, Oprea1_764687, SCHEMBL37945, MLS000762991, (1H )-Quinazolin-2,4-dione, 2.4(1H,3H)-Quinazolinedione, 4-hydroxy-3H-quinazolin-2-one, UNII-18K00A531C, 2,4(1H,3H)-Quinazalinendione, HMS543F09, 2,4(1H,-3H)-quinazolinedione, DTXCID30157834, NSC2108, 2,4(1H, 3H)-Quinazolinedione, CHEBI:198582, HMS1759I11, HMS2803E07, HY-N7089, BBL025915, BDBM50106196, PDSP1_000044, PDSP2_000044, s5166, STK336418, STK574725, AKOS000120498, AKOS003615369, AC-3003, CCG-266295, FS-2867, SDCCGMLS-0065795.P001, 1,3,4-Tetrahydroquinazoline-2,4-dione, NCGC00246521-01, BP-12382, SMR000439476, SY003536, 1H-Quinazoline-2,4-dione (Benzoylenurea), DB-001067, DB-335468, (1H,4, B3381, CS-0008444, NS00010197, EN300-17895, VU0350055-3, AB00174126-06, AH-740/03933012, Q27252014, Z57177786, F1962-0235, F3173-0012, 201-712-6, InChI=1/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12, L3N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C)C2CCCCC2C1 |
| Np Classifier Class | Quinazoline alkaloids |
| Deep Smiles | O=c[nH]cccccc6c=O)[nH]%10 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Diazanaphthalenes |
| Scaffold Graph Node Level | OC1NC(O)C2CCCCC2N1 |
| Classyfire Subclass | Benzodiazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 227.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q920D2, P09874, Q13946, Q14432, Q07343, B2RXH2, Q92830, Q9UNA4, O75496, P27695, P00374, O43570, Q16790, P00918, P00915 |
| Iupac Name | 1H-quinazoline-2,4-dione |
| Prediction Hob | 1.0 |
| Class | Diazanaphthalenes |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT2562, NPT48, NPT949, NPT948 |
| Xlogp | 0.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzodiazines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H6N2O2 |
| Scaffold Graph Node Bond Level | O=c1[nH]c(=O)c2ccccc2[nH]1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDQJTWBNWQABLE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.808 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.906 |
| Synonyms | Quinazoline-24-diol, 2,4-Quinazolinedione, 2,4(1H,3H)-Quinazolinedione, 2,4(1H,3H)-Quinazolinedione, 2-(11C-labeled), 2,4(1h,3h)-quinazolinedione, benzoyleneurea |
| Esol Class | Very soluble |
| Functional Groups | c=O, c[nH]c |
| Compound Name | 2,4-Dihydroxyquinazoline |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.043 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.15 |
| 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 |
| Esol | -2.501484266666666 |
| Inchi | InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) |
| Smiles | C1=CC=C2C(=C1)C(=O)NC(=O)N2 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Quinazolines |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 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 Strobilanthes Cusia (Plant) Rel Props:Reference:ISBN:9788185042145