C146H190N18O32 — CID 164954774
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-butoxyacetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclohexylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclopentylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-methoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-phenylmethoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide;hexakis(carbon dioxide) (PubChem CID 164954774) has the molecular formula C146H190N18O32 and a molecular weight of 2709.22 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-butoxyacetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclohexylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclopentylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-methoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-phenylmethoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide;hexakis(carbon dioxide).
| Compound Name | N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-butoxyacetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclohexylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclopentylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-methoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-phenylmethoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide;hexakis(carbon dioxide) |
|---|---|
| PubChem CID | 164954774 |
| Molecular Formula | C146H190N18O32 |
| Molecular Weight | 2709.22 g/mol |
| Exact Mass | 2707.38 |
| IUPAC Name | N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-butoxyacetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclohexylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(cyclopentylmethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-methoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-(2-phenylmethoxyethoxy)acetamide;N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-propoxyacetamide;hexakis(carbon dioxide) |
| SMILES | CCCCOCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.CCCOCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.COCCOCC(=O)NC1CCC(Oc2cccc3nc(C)cc(N)c23)CC1.Cc1cc(N)c2c(OC3CCC(NC(=O)COCC4CCCC4)CC3)cccc2n1.Cc1cc(N)c2c(OC3CCC(NC(=O)COCC4CCCCC4)CC3)cccc2n1.Cc1cc(N)c2c(OC3CCC(NC(=O)COCCOCc4ccccc4)CC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O |
| InChI | InChI=1S/C27H33N3O4.C25H35N3O3.C24H33N3O3.C22H31N3O3.C21H29N3O4.C21H29N3O3.6CO2/c1-19-16-23(28)27-24(29-19)8-5-9-25(27)34-22-12-10-21(11-13-22)30-26(31)18-33-15-14-32-17-20-6-3-2-4-7-20;1-17-14-21(26)25-22(27-17)8-5-9-23(25)31-20-12-10-19(11-13-20)28-24(29)16-30-15-18-6-3-2-4-7-18;1-16-13-20(25)24-21(26-16)7-4-8-22(24)30-19-11-9-18(10-12-19)27-23(28)15-29-14-17-5-2-3-6-17;1-3-4-12-27-14-21(26)25-16-8-10-17(11-9-16)28-20-7-5-6-19-22(20)18(23)13-15(2)24-19;1-14-12-17(22)21-18(23-14)4-3-5-19(21)28-16-8-6-15(7-9-16)24-20(25)13-27-11-10-26-2;1-3-11-26-13-20(25)24-15-7-9-16(10-8-15)27-19-6-4-5-18-21(19)17(22)12-14(2)23-18;6*2-1-3/h2-9,16,21-22H,10-15,17-18H2,1H3,(H2,28,29)(H,30,31);5,8-9,14,18-20H,2-4,6-7,10-13,15-16H2,1H3,(H2,26,27)(H,28,29);4,7-8,13,17-19H,2-3,5-6,9-12,14-15H2,1H3,(H2,25,26)(H,27,28);5-7,13,16-17H,3-4,8-12,14H2,1-2H3,(H2,23,24)(H,25,26);3-5,12,15-16H,6-11,13H2,1-2H3,(H2,22,23)(H,24,25);4-6,12,15-16H,3,7-11,13H2,1-2H3,(H2,22,23)(H,24,25);;;;;; |
| InChIKey | BAJFMZWNIXLGNZ-UHFFFAOYSA-N |
| XLogP | 19.03 |
| TPSA | 742.12 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2709.22 |
| LogP ≤ 5 | 19.03 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|