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83722-02-5 | 4(3H)-Quinazolinone, 2-(4-hydroxyphenyl)-6-methoxy-3-methyl-
CAS No: 83722-02-5 Catalog No: AG004T65 MDL No:
Product Description
Catalog Number:
AG004T65
Chemical Name:
4(3H)-Quinazolinone, 2-(4-hydroxyphenyl)-6-methoxy-3-methyl-
CAS Number:
83722-02-5
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
IUPAC Name:
2-(4-hydroxyphenyl)-6-methoxy-3-methylquinazolin-4-one
InChI:
InChI=1S/C16H14N2O3/c1-18-15(10-3-5-11(19)6-4-10)17-14-8-7-12(21-2)9-13(14)16(18)20/h3-9,19H,1-2H3
InChI Key:
SJIFURHIJRUXOG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)n(c(n2)c1ccc(cc1)O)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro evaluation of derivatives of the β₁-adrenergic receptor antagonist HX-CH 44. | Bioorganic & medicinal chemistry letters 20110915 |
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