7-(Morpholin-4-yl)quinazolin-4(3H)-one - CAS 1265848-98-3
Catalog: |
BB044580 |
Product Name: |
7-(Morpholin-4-yl)quinazolin-4(3H)-one |
CAS: |
1265848-98-3 |
Synonyms: |
7-morpholinoquinazolin-4(3H)-one; 7-morpholin-4-yl-1H-quinazolin-4-one; 4(3H)-Quinazolinone, 7-(4-morpholinyl)-; 7-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one |
IUPAC Name: | 7-morpholin-4-yl-3H-quinazolin-4-one |
Description: | 7-(Morpholin-4-yl)quinazolin-4(3H)-one (CAS# 1265848-98-3 ) is a useful research chemical. |
Molecular Weight: | 231.25 |
Molecular Formula: | C12H13N3O2 |
Canonical SMILES: | C1COCCN1C2=CC3=C(C=C2)C(=O)NC=N3 |
InChI: | InChI=1S/C12H13N3O2/c16-12-10-2-1-9(7-11(10)13-8-14-12)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2,(H,13,14,16) |
InChI Key: | NBTYLMFLZWTFJP-UHFFFAOYSA-N |
Boiling Point: | 455.7±55.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.40±0.1 g/cm3 (Predicted) |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.100776666 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Related Functional Groups
Morpholines/Thiomorpholines
Quinazolines
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