C182H274N32O25 — CID 157068754
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[5-(methylamino)-6-oxoheptyl]-4-oxoheptanediamide;4-[6-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)hexanoyl]-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]cyclohexane-1-carboxamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]-4-oxononanamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-(methylamino)-6-oxoheptyl]-4-oxononanamide;11-[2-[2-[2-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(methylamino)undecane-2,9-dione (PubChem CID 157068754) has the molecular formula C182H274N32O25 and a molecular weight of 3310.39 g/mol. Its IUPAC name is N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[5-(methylamino)-6-oxoheptyl]-4-oxoheptanediamide;4-[6-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)hexanoyl]-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]cyclohexane-1-carboxamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]-4-oxononanamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-(methylamino)-6-oxoheptyl]-4-oxononanamide;11-[2-[2-[2-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(methylamino)undecane-2,9-dione.
| Compound Name | N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[5-(methylamino)-6-oxoheptyl]-4-oxoheptanediamide;4-[6-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)hexanoyl]-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]cyclohexane-1-carboxamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]-4-oxononanamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-(methylamino)-6-oxoheptyl]-4-oxononanamide;11-[2-[2-[2-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(methylamino)undecane-2,9-dione |
|---|---|
| PubChem CID | 157068754 |
| Molecular Formula | C182H274N32O25 |
| Molecular Weight | 3310.39 g/mol |
| Exact Mass | 3308.12 |
| IUPAC Name | N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[5-(methylamino)-6-oxoheptyl]-4-oxoheptanediamide;4-[6-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)hexanoyl]-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]cyclohexane-1-carboxamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-[[5-(methylamino)-6-oxoheptyl]amino]-2,5-dioxopentyl]-4-oxononanamide;9-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-N-[5-(methylamino)-6-oxoheptyl]-4-oxononanamide;11-[2-[2-[2-[2-[8-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-3-oxooctoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-(methylamino)undecane-2,9-dione |
| SMILES | CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)C1CCC(C(=O)NCC(=O)CCC(=O)NCCCCC(NC)C(C)=O)CC1.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCC(=O)NCC(=O)CCC(=O)NCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCC(=O)NCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CCOCCOCCOCCOCCOCCC(=O)CCCCCC(NC)C(C)=O.CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCC(=O)CCC(=O)NCCCCC(NC)C(C)=O |
| InChI | InChI=1S/C42H67N5O8.C40H59N7O5.C36H53N7O5.C33H49N7O4.C31H46N6O3/c1-4-5-19-39-46-40-41(36-16-11-12-18-38(36)45-42(40)43)47(39)22-13-7-9-15-35(50)21-24-52-26-28-54-30-32-55-31-29-53-27-25-51-23-20-34(49)14-8-6-10-17-37(44-3)33(2)48;1-4-5-17-35-46-37-38(31-13-8-9-15-33(31)45-39(37)41)47(35)25-12-6-7-16-34(50)28-18-20-29(21-19-28)40(52)44-26-30(49)22-23-36(51)43-24-11-10-14-32(42-3)27(2)48;1-4-5-17-31-42-34-35(28-14-8-9-16-30(28)41-36(34)37)43(31)23-12-6-7-13-26(45)18-20-33(48)40-24-27(46)19-21-32(47)39-22-11-10-15-29(38-3)25(2)44;1-4-5-15-28-39-31-32(25-12-6-7-14-27(25)38-33(31)34)40(28)22-11-10-21-37-30(44)19-17-24(42)16-18-29(43)36-20-9-8-13-26(35-3)23(2)41;1-4-5-17-27-36-29-30(24-14-8-9-16-26(24)35-31(29)32)37(27)21-12-6-7-13-23(39)18-19-28(40)34-20-11-10-15-25(33-3)22(2)38/h11-12,16,18,37,44H,4-10,13-15,17,19-32H2,1-3H3,(H2,43,45);8-9,13,15,28-29,32,42H,4-7,10-12,14,16-26H2,1-3H3,(H2,41,45)(H,43,51)(H,44,52);8-9,14,16,29,38H,4-7,10-13,15,17-24H2,1-3H3,(H2,37,41)(H,39,47)(H,40,48);6-7,12,14,26,35H,4-5,8-11,13,15-22H2,1-3H3,(H2,34,38)(H,36,43)(H,37,44);8-9,14,16,25,33H,4-7,10-13,15,17-21H2,1-3H3,(H2,32,35)(H,34,40) |
| InChIKey | ACEKUNSYMOSSGJ-UHFFFAOYSA-N |
| XLogP | 24.80 |
| TPSA | 815.56 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 122 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3310.39 |
| LogP ≤ 5 | 24.80 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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