7-Nitroquinazolin-4(3H)-one - CAS 20872-93-9
Catalog: |
BB016366 |
Product Name: |
7-Nitroquinazolin-4(3H)-one |
CAS: |
20872-93-9 |
Synonyms: |
7-nitro-3H-quinazolin-4-one; 7-nitro-3H-quinazolin-4-one |
IUPAC Name: | 7-nitro-3H-quinazolin-4-one |
Description: | 7-Nitroquinazolin-4(3H)-one (CAS# 20872-93-9) is a useful research chemical. |
Molecular Weight: | 191.14 |
Molecular Formula: | C8H5N3O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])N=CNC2=O |
InChI: | InChI=1S/C8H5N3O3/c12-8-6-2-1-5(11(13)14)3-7(6)9-4-10-8/h1-4H,(H,9,10,12) |
InChI Key: | LPCJURLBTXOJHS-UHFFFAOYSA-N |
Boiling Point: | 381.3 °C at 760 mmHg |
Density: | 1.64 g/cm3 |
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+P312, 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 |
KR-102063286-B1 | Novel Hydroxamic Acid Incorporating Quinazolin-4(3H)-ones as Histone Deacetylase Inhibitors and Anticancer Composition Comprising the Same | 20180525 |
KR-20190134180-A | Novel Hydroxamic Acid Incorporating Quinazolin-4(3H)-ones as Histone Deacetylase Inhibitors and Anticancer Composition Comprising the Same | 20180525 |
EP-3570836-A1 | 2-arylsulfonamido-n-arylacetamide derivatized stat3 inhibitors | 20170123 |
JP-2020505457-A | 2-Arylsulfonamide-N-arylacetamide derivatized Stat3 | 20170123 |
US-2019389844-A1 | 2-arylsulfonamido-n-arylacetamide derivatized stat3 inhibitors | 20170123 |
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 |
21201454 | 20080111 | 7-Nitro-quinazolin-4(3H)-one | Acta crystallographica. Section E, Structure reports online |
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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