2-Cyano-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide - CAS 25380-20-5
Catalog: |
BB048689 |
Product Name: |
2-Cyano-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide |
CAS: |
25380-20-5 |
Synonyms: |
2-cyano-N-(2-methyl-4-oxo(3-hydroquinazolin-3-yl))acetamide; 2-Cyano-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide |
IUPAC Name: | 2-cyano-N-(2-methyl-4-oxoquinazolin-3-yl)acetamide |
Description: | 2-Cyano-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide (CAS# 25380-20-5 ) is a useful research chemical. |
Molecular Weight: | 242.23 |
Molecular Formula: | C12H10N4O2 |
Canonical SMILES: | CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CC#N |
InChI: | InChI=1S/C12H10N4O2/c1-8-14-10-5-3-2-4-9(10)12(18)16(8)15-11(17)6-7-13/h2-5H,6H2,1H3,(H,15,17) |
InChI Key: | YXBNSAYJMXBRAW-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 448 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.08037557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 85.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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