C137H121Cl4F3N8O17 — CID 158319234
N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate (PubChem CID 158319234) has the molecular formula C137H121Cl4F3N8O17 and a molecular weight of 2350.32 g/mol. Its IUPAC name is N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate.
| Compound Name | N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate |
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| PubChem CID | 158319234 |
| Molecular Formula | C137H121Cl4F3N8O17 |
| Molecular Weight | 2350.32 g/mol |
| Exact Mass | 2346.76 |
| IUPAC Name | N-butyl-7-[(3-chlorophenyl)methoxy]quinoline-3-carboxamide;1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]propan-2-one;ethyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate;ethyl 2-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]acetate;1-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;1-[7-[(4-fluorophenyl)methoxy]quinolin-3-yl]propan-2-one;methyl 2-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]acetate |
| SMILES | CC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CC(=O)Cc1cnc2cc(OCc3cccc(F)c3)ccc2c1.CCCCNC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3ccc(F)cc3)ccc2c1.CCOC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.COC(=O)Cc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1 |
| InChI | InChI=1S/C21H21ClN2O2.C20H18ClNO3.C20H18FNO3.C19H16ClNO3.C19H16ClNO2.2C19H16FNO2/c1-2-3-9-23-21(25)17-11-16-7-8-19(12-20(16)24-13-17)26-14-15-5-4-6-18(22)10-15;1-2-24-20(23)10-15-8-16-6-7-18(11-19(16)22-12-15)25-13-14-4-3-5-17(21)9-14;1-2-24-20(23)10-15-9-16-5-8-18(11-19(16)22-12-15)25-13-14-3-6-17(21)7-4-14;1-23-19(22)9-14-7-15-5-6-17(10-18(15)21-11-14)24-12-13-3-2-4-16(20)8-13;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14;1-13(22)8-15-9-16-4-7-18(10-19(16)21-11-15)23-12-14-2-5-17(20)6-3-14;1-13(22)7-15-8-16-5-6-18(10-19(16)21-11-15)23-12-14-3-2-4-17(20)9-14/h4-8,10-13H,2-3,9,14H2,1H3,(H,23,25);2*3-9,11-12H,2,10,13H2,1H3;2-8,10-11H,9,12H2,1H3;2-6,8-11H,7,12H2,1H3;2-7,9-11H,8,12H2,1H3;2-6,8-11H,7,12H2,1H3 |
| InChIKey | GOQFUJXUQTYWFU-UHFFFAOYSA-N |
| XLogP | 30.58 |
| TPSA | 314.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2350.32 |
| LogP ≤ 5 | 30.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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