7-Methoxy-6-nitroquinazolin-4(3H)-one - CAS 1012057-47-4
Catalog: |
BB000464 |
Product Name: |
7-Methoxy-6-nitroquinazolin-4(3H)-one |
CAS: |
1012057-47-4 |
Synonyms: |
7-methoxy-6-nitro-3H-quinazolin-4-one; 7-methoxy-6-nitro-3H-quinazolin-4-one |
IUPAC Name: | 7-methoxy-6-nitro-3H-quinazolin-4-one |
Description: | 7-Methoxy-6-nitroquinazolin-4(3H)-one (CAS# 1012057-47-4 ) is a useful research chemical. |
Molecular Weight: | 221.17 |
Molecular Formula: | C9H7N3O4 |
Canonical SMILES: | COC1=C(C=C2C(=C1)N=CNC2=O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7N3O4/c1-16-8-3-6-5(2-7(8)12(14)15)9(13)11-4-10-6/h2-4H,1H3,(H,10,11,13) |
InChI Key: | AJRGEVFKZSWGFX-UHFFFAOYSA-N |
LogP: | 1.77540 |
Publication Number | Title | Priority Date |
WO-2012169785-A2 | Symmetrically structured quinazoline derivatives | 20110607 |
WO-2012169785-A9 | Symmetrically structured quinazoline derivatives | 20110607 |
EP-2611797-A2 | Quinoline or quinazoline derivatives with apoptosis inducing activity on cells | 20100831 |
EP-2611797-B1 | Quinoline or quinazoline derivatives with apoptosis inducing activity on cells | 20100831 |
US-2013165386-A1 | Quinoline or quinazoline derivatives with apoptosis inducing activity on cells | 20100831 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.04365571 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.04365571 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 96.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Quinazolines
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