| CAS Number | 77229-67-5 |
| Catalog Number | AG003AEF(AGN-PC-0JPL7K) |
| Chemical Name | N-{4-[(6-methoxyquinolin-8-yl)amino]pentyl}acetamide |
| IUPAC Name | N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]acetamide |
| InChI | InChI=1S/C17H23N3O2/c1-12(6-4-8-18-13(2)21)20-16-11-15(22-3)10-14-7-5-9-19-17(14)16/h5,7,9-12,20H,4,6,8H2,1-3H3,(H,18,21) |
| InChI Key | YVURERLGLAYCCQ-UHFFFAOYSA-N |
| MDL Number | MFCD00601267 |
| Molecular Formula | C17H23N3O2 |
| Molecular Weight | 301.3834 |
| SMILES | COC=1C=C2C=CC=NC2=C(C1)NC(CCCNC(C)=O)C |
| Synonyms | N-Acetylprimaquine,
77229-67-5,
N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]acetamide,
AC1L4H8W,
CHEMBL1758,
Acetamide, N-(4-((6-methoxy-8-quinolinyl)amino)pentyl)-,
YVURERLGLAYCCQ-UHFFFAOYSA-N,
PRI_302.1864_17.0,
8-[4-Acetamino-1-methylbutylamino]-6-methoxyquinoline,
N-(4-[(6-Methoxy-8-quinolinyl)amino]pentyl)acetamide #,
CID157027,
N-(4-[(6-Methoxy-8-quinolinyl)amino]pentyl)acetamide,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.39g/mol |
| Monoisotopic Mass | 301.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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