| CAS Number | 870692-98-1 |
| Catalog Number | AG019OOK |
| Chemical Name | 2-hydroxy-3-[4-(propan-2-yl)phenyl]-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 3-(4-propan-2-ylphenyl)-1H-quinazoline-2,4-dione |
| InChI | InChI=1S/C17H16N2O2/c1-11(2)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)18-17(19)21/h3-11H,1-2H3,(H,18,21) |
| InChI Key | ZUAKYEINYRAVOG-UHFFFAOYSA-N |
| MDL Number | MFCD06655867 |
| Molecular Formula | C17H16N2O2 |
| Molecular Weight | 280.3211 |
| SMILES | CC(C1=CC=C(N2C(=O)C3=C(C=CC=C3)N=C2O)C=C1)C |
| Synonyms | 2-hydroxy-3-[4-(propan-2-yl)phenyl]-3,4-dihydroquinazolin-4-one,
870692-98-1,
2-hydroxy-3-(4-isopropylphenyl)quinazolin-4(3H)-one,
AC1Q1OMH,
CTK6A5101,
HMS1778D11,
ZINC12504785,
AKOS033005412,
MCULE-1393316652,
NE13576,
EN300-14718,
Z104442606,
3-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.327g/mol |
| Monoisotopic Mass | 280.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number