| CAS Number | 2097936-80-4 |
| Catalog Number | AG01EHW5 |
| Chemical Name | 3-(piperidin-3-yl)-3,4-dihydroquinazolin-4-one dihydrochloride |
| IUPAC Name | 3-piperidin-3-yl-4aH-quinazolin-3-ium-4-one;dihydrochloride |
| InChI | InChI=1S/C13H16N3O.2ClH/c17-13-11-5-1-2-6-12(11)15-9-16(13)10-4-3-7-14-8-10;;/h1-2,5-6,9-11,14H,3-4,7-8H2;2*1H/q+1;; |
| InChI Key | JEWSHDJPENPRMH-UHFFFAOYSA-N |
| MDL Number | MFCD31559951 |
| Molecular Formula | C13H17Cl2N3O |
| Molecular Weight | 302.1996 |
| SMILES | Cl.Cl.O=C1C2=C(C=CC=C2)N=CN1C1CNCCC1 |
| Synonyms | 2097936-80-4,
3-(piperidin-3-yl)-3,4-dihydroquinazolin-4-one dihydrochloride,
|
| Complexity | 459 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.083g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.207g/mol |
| Monoisotopic Mass | 302.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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