4-Hydroxy-6-nitroquinazoline - CAS 6943-17-5
Catalog: |
BB033822 |
Product Name: |
4-Hydroxy-6-nitroquinazoline |
CAS: |
6943-17-5 |
Synonyms: |
6-nitro-3H-quinazolin-4-one; 6-nitro-3H-quinazolin-4-one |
IUPAC Name: | 6-nitro-3H-quinazolin-4-one |
Description: | Intermediate in the preparation of anticancer agents and enzyme inhibitors. |
Molecular Weight: | 191.14 |
Molecular Formula: | C8H5N3O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC=N2 |
InChI: | InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)1-2-7(6)9-4-10-8/h1-4H,(H,9,10,12) |
InChI Key: | MOBNCKURXDGQCB-UHFFFAOYSA-N |
Boiling Point: | 407 °C at 760 mmHg |
Density: | 1.64 g/cm3 |
Solubility: | >28.7 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00137845 |
LogP: | 1.35450 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112898290-A | Isoxazole formamido-4 (3H) -quinazolinone derivative and synthesis method and application thereof | 20210129 |
CN-111777564-A | Method for synthesizing quinazolinone compound through photocatalytic alcohol oxidation in aqueous phase | 20200811 |
CN-111875549-A | Method for synthesizing quinazolinone compound in aqueous phase through photocatalysis | 20200811 |
CN-111848584-A | Polysubstituted quinazoline compound and application thereof | 20200710 |
CN-113307797-A | Polysubstituted quinazoline compound and application thereof | 20200710 |
PMID | Publication Date | Title | Journal |
22365563 | 20120401 | Synthesis and SAR optimization of quinazolin-4(3H)-ones as poly(ADP-ribose)polymerase-1 inhibitors | European journal of medicinal chemistry |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.03309103 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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