AC1ME48Q
propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: Oprea1_425056|Oprea1_752046|BAS 00410793|1-methylethyl 4-(4-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|AG-690/10378003|SR-01000403494-1|propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate|methylethyl 4-(4-iodophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-ca rboxylate
| Molecular Formula | C20H22INO3 |
|---|---|
| Molecular Weight | 451.06445 g/mol |
| LogP | 4.2107 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.06445 |
| Monoisotopic Mass | 451.06445 |
| Heavy Atoms | 25 |
| Complexity | 774.6359 |
Chemical Identifiers
| CAS Number | 299451-83-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)I)C(=O)OC(C)C |
Product Overview
AC1ME48Q (CAS 299451-83-5), with molecular formula C20H22INO3 and molecular weight 451.06445 g/mol. IUPAC: propan-2-yl 4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
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