C161H202ClN25O24 — CID 159944479
(2-amino-2-oxoethyl) 4-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 2-(1-isoquinolin-1-ylpiperidin-4-yl)acetate;[2-(methylamino)-2-oxoethyl] 3-(1-isoquinolin-1-ylpiperidin-4-yl)propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(1,5-naphthyridin-2-yl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate (PubChem CID 159944479) has the molecular formula C161H202ClN25O24 and a molecular weight of 2906.99 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 2-(1-isoquinolin-1-ylpiperidin-4-yl)acetate;[2-(methylamino)-2-oxoethyl] 3-(1-isoquinolin-1-ylpiperidin-4-yl)propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(1,5-naphthyridin-2-yl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate.
| Compound Name | (2-amino-2-oxoethyl) 4-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 2-(1-isoquinolin-1-ylpiperidin-4-yl)acetate;[2-(methylamino)-2-oxoethyl] 3-(1-isoquinolin-1-ylpiperidin-4-yl)propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(1,5-naphthyridin-2-yl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate |
|---|---|
| PubChem CID | 159944479 |
| Molecular Formula | C161H202ClN25O24 |
| Molecular Weight | 2906.99 g/mol |
| Exact Mass | 2904.50 |
| IUPAC Name | (2-amino-2-oxoethyl) 4-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;(2-amino-2-oxoethyl) 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 2-(1-isoquinolin-1-ylpiperidin-4-yl)acetate;[2-(methylamino)-2-oxoethyl] 3-(1-isoquinolin-1-ylpiperidin-4-yl)propanoate;[2-(methylamino)-2-oxoethyl] 4-[1-(1,5-naphthyridin-2-yl)piperidin-4-yl]butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-3-ylpiperidin-4-yl)butanoate;[2-(methylamino)-2-oxoethyl] 4-(1-quinolin-4-ylpiperidin-4-yl)butanoate |
| SMILES | CNC(=O)COC(=O)CC1CCN(c2nccc3ccccc23)CC1.CNC(=O)COC(=O)CCC1CCN(c2nccc3ccccc23)CC1.CNC(=O)COC(=O)CCCC1CCN(c2ccc3ncccc3n2)CC1.CNC(=O)COC(=O)CCCC1CCN(c2ccnc3ccccc23)CC1.CNC(=O)COC(=O)CCCC1CCN(c2cnc3ccccc3c2)CC1.NC(=O)COC(=O)CCCC1CCN(c2ccc3cccc(Cl)c3n2)CC1.NC(=O)COC(=O)CCCC1CCN(c2ccnc3ccccc23)CC1.NC(=O)COC(=O)CCCC1CCN(c2cnc3ccccc3c2)CC1 |
| InChI | InChI=1S/2C21H27N3O3.C20H24ClN3O3.C20H26N4O3.3C20H25N3O3.C19H23N3O3/c1-22-20(25)15-27-21(26)8-4-5-16-10-13-24(14-11-16)19-9-12-23-18-7-3-2-6-17(18)19;1-22-20(25)15-27-21(26)8-4-5-16-9-11-24(12-10-16)18-13-17-6-2-3-7-19(17)23-14-18;21-16-5-2-4-15-7-8-18(23-20(15)16)24-11-9-14(10-12-24)3-1-6-19(26)27-13-17(22)25;1-21-19(25)14-27-20(26)6-2-4-15-9-12-24(13-10-15)18-8-7-16-17(23-18)5-3-11-22-16;1-21-18(24)14-26-19(25)7-6-15-9-12-23(13-10-15)20-17-5-3-2-4-16(17)8-11-22-20;21-19(24)14-26-20(25)7-3-4-15-9-12-23(13-10-15)18-8-11-22-17-6-2-1-5-16(17)18;21-19(24)14-26-20(25)7-3-4-15-8-10-23(11-9-15)17-12-16-5-1-2-6-18(16)22-13-17;1-20-17(23)13-25-18(24)12-14-7-10-22(11-8-14)19-16-5-3-2-4-15(16)6-9-21-19/h2-3,6-7,9,12,16H,4-5,8,10-11,13-15H2,1H3,(H,22,25);2-3,6-7,13-14,16H,4-5,8-12,15H2,1H3,(H,22,25);2,4-5,7-8,14H,1,3,6,9-13H2,(H2,22,25);3,5,7-8,11,15H,2,4,6,9-10,12-14H2,1H3,(H,21,25);2-5,8,11,15H,6-7,9-10,12-14H2,1H3,(H,21,24);1-2,5-6,8,11,15H,3-4,7,9-10,12-14H2,(H2,21,24);1-2,5-6,12-13,15H,3-4,7-11,14H2,(H2,21,24);2-6,9,14H,7-8,10-13H2,1H3,(H,20,23) |
| InChIKey | OBHUEIXMVRRGBU-UHFFFAOYSA-N |
| XLogP | 21.38 |
| TPSA | 627.10 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2906.99 |
| LogP ≤ 5 | 21.38 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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