| CAS Number | 79098-88-7 |
| Catalog Number | AG00G7ES(AGN-PC-00KN1Q) |
| Chemical Name | 3-(1-Benzylpiperidin-4-yl)-1,2,3,4-tetrahydroquinazolin-2-one |
| IUPAC Name | 3-(1-benzylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one |
| InChI | InChI=1S/C20H23N3O/c24-20-21-19-9-5-4-8-17(19)15-23(20)18-10-12-22(13-11-18)14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,21,24) |
| InChI Key | IIJKKEKDXSQIEH-UHFFFAOYSA-N |
| MDL Number | MFCD20268149 |
| Molecular Formula | C20H23N3O |
| Molecular Weight | 321.4161 |
| SMILES | O=C3(N(C2(CCN(CC1(=CC=CC=C1))CC2))CC4(=CC=CC=C4(N3))) |
| Synonyms | 79098-88-7,
3-(1-benzylpiperidin-4-yl)-1,2,3,4-tetrahydroquinazolin-2-one,
3-(1-Benzylpiperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one,
SCHEMBL9046543,
IIJKKEKDXSQIEH-UHFFFAOYSA-N,
ZX-RL002295,
9803AE,
ZINC39381936,
AKOS016340178,
FH-0721,
KS-0000255G,
OR303332,
1-Benzyl-4-[3,4-dihydro-2(1H)-quinazolinon-3-yl]-piperidine,
3-(1-Benzyl-piperidin-4-yl)-3,4-dihydro-1H-quinazolin-2-one,
C20H23N3O,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.424g/mol |
| Monoisotopic Mass | 321.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number