| CAS Number | 875258-85-8 |
| Catalog Number | AG00GVYX(AGN-PC-0VEGA9) |
| Chemical Name | YIL 781 |
| IUPAC Name | 6-(4-fluorophenoxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]quinazolin-4-one;hydrochloride |
| InChI | InChI=1S/C24H28FN3O2.ClH/c1-16(2)27-12-4-5-18(14-27)15-28-17(3)26-23-11-10-21(13-22(23)24(28)29)30-20-8-6-19(25)7-9-20;/h6-11,13,16,18H,4-5,12,14-15H2,1-3H3;1H/t18-;/m0./s1 |
| InChI Key | QQGRMONBDBMLSP-FERBBOLQSA-N |
| MDL Number | MFCD27980545 |
| Molecular Formula | C24H28FN3O2 |
| Molecular Weight | 409.4964 |
| SMILES | O=C1N(C[C@@H]2CN(C(C)C)CCC2)C(C)=NC3=C1C=C(OC4=CC=C(F)C=C4)C=C3 |
| Synonyms | YIL 781,
YIL-781,
YIL781,
YIL 781,
875258-85-8,
AKOS024457897,
YIL-781 hydrochloride, >=98% (HPLC),
B7551,
A11979,
S-7802,
6-(4-Fluorophenoxy)-2-methyl-3-[[(3S)-1-(1-methylethyl)-3-piperidinyl]methyl]-4(3H)-quinazolinone,
Shz-1,
yil-781,
QQGRMONBDBMLSP-FERBBOLQSA-N,
1640226-17-0,
326886-05-9,
|
| Complexity | 632 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.963g/mol |
| Monoisotopic Mass | 445.193g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 45.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number