| CAS Number | 1351398-43-0 |
| Catalog Number | AG00HTWF(AGN-PC-0WAYK2) |
| Chemical Name | 7'-fluoro-1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one |
| IUPAC Name | 7-fluoro-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one |
| InChI | InChI=1S/C13H16FN3O/c1-17-11-8-9(14)2-3-10(11)12(18)16-13(17)4-6-15-7-5-13/h2-3,8,15H,4-7H2,1H3,(H,16,18) |
| InChI Key | DTALSOKTJLAGPA-UHFFFAOYSA-N |
| MDL Number | MFCD20528964 |
| Molecular Formula | C13H16FN3O |
| Molecular Weight | 249.2840 |
| SMILES | CN1c2cc(F)ccc2C(=O)NC21CCNCC2 |
| Synonyms | 7'-fluoro-1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one,
1351398-43-0,
7'-fluoro-1'-methyl-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-4'-one,
KS-000023BZ,
BBL007380,
HTS000842,
MFCD20528964,
STL145020,
ZINC70451497,
AKOS005746152,
BS-3398,
MCULE-1771539263,
C13H16FN3O,
H1282,
7-fluoro-1-methyl-spiro[3H-quinazoline-2,4'-piperidine]-4-one,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.289g/mol |
| Monoisotopic Mass | 249.128g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number