C173H262Cl3N36O29+ — CID 159375664
N-(4-aminobutyl)-N-(oxan-4-yl)acetamide;N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide;N-[4-[(3-aminoquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;tert-butyl N-[4-[acetyl(oxan-4-yl)amino]butyl]carbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]-5-hydroxyimidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-(4-aminobutyl)carbamate;chloro(diazenyl)diazene;4-chloro-3-nitroquinoline;methane;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride (PubChem CID 159375664) has the molecular formula C173H262Cl3N36O29+ and a molecular weight of 3416.58 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-(oxan-4-yl)acetamide;N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide;N-[4-[(3-aminoquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;tert-butyl N-[4-[acetyl(oxan-4-yl)amino]butyl]carbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]-5-hydroxyimidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-(4-aminobutyl)carbamate;chloro(diazenyl)diazene;4-chloro-3-nitroquinoline;methane;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride.
| Compound Name | N-(4-aminobutyl)-N-(oxan-4-yl)acetamide;N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide;N-[4-[(3-aminoquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;tert-butyl N-[4-[acetyl(oxan-4-yl)amino]butyl]carbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]-5-hydroxyimidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-(4-aminobutyl)carbamate;chloro(diazenyl)diazene;4-chloro-3-nitroquinoline;methane;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride |
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| PubChem CID | 159375664 |
| Molecular Formula | C173H262Cl3N36O29+ |
| Molecular Weight | 3416.58 g/mol |
| Exact Mass | 3412.92 |
| IUPAC Name | N-(4-aminobutyl)-N-(oxan-4-yl)acetamide;N-[4-[4-amino-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide;N-[4-[(3-aminoquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;tert-butyl N-[4-[acetyl(oxan-4-yl)amino]butyl]carbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]-5-hydroxyimidazo[4,5-c]quinolin-5-ium-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-[[1-[4-[acetyl(oxan-4-yl)amino]butyl]imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate;tert-butyl N-(4-aminobutyl)carbamate;chloro(diazenyl)diazene;4-chloro-3-nitroquinoline;methane;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride |
| SMILES | C.CC(=O)N(CCCCN)C1CCOCC1.CC(=O)N(CCCCNC(=O)OC(C)(C)C)C1CCOCC1.CC(=O)N(CCCCNc1c(N)cnc2ccccc12)C1CCOCC1.CC(=O)N(CCCCNc1c([N+](=O)[O-])cnc2ccccc12)C1CCOCC1.CC(C)(C)OC(=O)NCCCCN.CCN(Cc1nc2c[n+](O)c3ccccc3c2n1CCCCN(C(C)=O)C1CCOCC1)C(=O)OC(C)(C)C.CCN(Cc1nc2cnc3ccccc3c2n1CCCCN(C(C)=O)C1CCOCC1)C(=O)OC(C)(C)C.CCNCc1nc2c(N)nc3ccccc3c2n1CCCCN(C(C)=O)C1CCOCC1.Cl.O=C1CCOCC1.O=[N+]([O-])c1cnc2ccccc2c1Cl.[H]/N=N/N=NCl |
| InChI | InChI=1S/C29H42N5O5.C29H41N5O4.C24H34N6O2.C20H26N4O4.C20H28N4O2.C16H30N2O4.C11H22N2O2.C9H5ClN2O2.C9H20N2O2.C5H8O2.CH4.ClHN4.ClH/c1-6-31(28(36)39-29(3,4)5)20-26-30-24-19-34(37)25-12-8-7-11-23(25)27(24)33(26)16-10-9-15-32(21(2)35)22-13-17-38-18-14-22;1-6-32(28(36)38-29(3,4)5)20-26-31-25-19-30-24-12-8-7-11-23(24)27(25)34(26)16-10-9-15-33(21(2)35)22-13-17-37-18-14-22;1-3-26-16-21-28-22-23(19-8-4-5-9-20(19)27-24(22)25)30(21)13-7-6-12-29(17(2)31)18-10-14-32-15-11-18;1-15(25)23(16-8-12-28-13-9-16)11-5-4-10-21-20-17-6-2-3-7-18(17)22-14-19(20)24(26)27;1-15(25)24(16-8-12-26-13-9-16)11-5-4-10-22-20-17-6-2-3-7-19(17)23-14-18(20)21;1-13(19)18(14-7-11-21-12-8-14)10-6-5-9-17-15(20)22-16(2,3)4;1-10(14)13(7-3-2-6-12)11-4-8-15-9-5-11;10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-9(2,3)13-8(12)11-7-5-4-6-10;6-5-1-3-7-4-2-5;;1-3-5-4-2;/h7-8,11-12,19,22,37H,6,9-10,13-18,20H2,1-5H3;7-8,11-12,19,22H,6,9-10,13-18,20H2,1-5H3;4-5,8-9,18,26H,3,6-7,10-16H2,1-2H3,(H2,25,27);2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,21,22);2-3,6-7,14,16H,4-5,8-13,21H2,1H3,(H,22,23);14H,5-12H2,1-4H3,(H,17,20);11H,2-9,12H2,1H3;1-5H;4-7,10H2,1-3H3,(H,11,12);1-4H2;1H4;2H;1H/q+1;;;;;;;;;;;;/b;;;;;;;;;;;4-2+,5-3?; |
| InChIKey | QVXXAGYCVJLDIC-VTTZFRKXSA-N |
| XLogP | 28.99 |
| TPSA | 798.22 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 59 |
| Heavy Atoms | 241 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3416.58 |
| LogP ≤ 5 | 28.99 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 49 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'} |
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