bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride

C174H266Cl3N36O27+ — CID 162248313

About bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride

bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride (PubChem CID 162248313) has the molecular formula C174H266Cl3N36O27+ and a molecular weight of 3400.63 g/mol. Its IUPAC name is bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride.

Molecular Properties

• Compound Name: bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride
• PubChem CID: 162248313
• Molecular Formula: C174H266Cl3N36O27+
• Molecular Weight: 3400.63 g/mol
• Exact Mass: 3396.96
• IUPAC Name: bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride
• SMILES: CC(=O)N(CCCCN)C1CCOCC1.CC(=O)N(CCCCN)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.CNC(=O)OC(C)(C)C.Cc1cnc2ccccc2c1Cl.Cl.O=C1CCOCC1.[H]/N=N/N=NCl
• InChI: InChI=1S/C29H42N5O5.C29H41N5O4.C24H34N6O2.C20H26N4O4.C20H28N4O2.2C11H22N2O2.C10H8ClN.C9H20N2O2.C6H13NO2.C5H8O2.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;2*1-10(14)13(7-3-2-6-12)11-4-8-15-9-5-11;1-7-6-12-9-5-3-2-4-8(9)10(7)11;1-9(2,3)13-8(12)11-7-5-4-6-10;1-6(2,3)9-5(8)7-4;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);2*11H,2-9,12H2,1H3;2-6H,1H3;4-7,10H2,1-3H3,(H,11,12);1-4H3,(H,7,8);1-4H2;2H;1H/q+1;;;;;;;;;;;;/b;;;;;;;;;;;4-2+,5-3?
• InChIKey: YSUYIXSPQSFINL-VTTZFRKXSA-N
• XLogP: 28.33
• TPSA: 781.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 57
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3400.63
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• 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'}

Frequently Asked Questions

What is the IUPAC name of bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride?

The IUPAC name of bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride (CID 162248313) is bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride.

What is the SMILES notation for bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride?

The canonical SMILES for bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride is CC(=O)N(CCCCN)C1CCOCC1.CC(=O)N(CCCCN)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.CNC(=O)OC(C)(C)C.Cc1cnc2ccccc2c1Cl.Cl.O=C1CCOCC1.[H]/N=N/N=NCl.

What is the InChIKey of bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride?

The InChIKey is YSUYIXSPQSFINL-VTTZFRKXSA-N. The full InChI is InChI=1S/C29H42N5O5.C29H41N5O4.C24H34N6O2.C20H26N4O4.C20H28N4O2.2C11H22N2O2.C10H8ClN.C9H20N2O2.C6H13NO2.C5H8O2.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;2*1-10(14)13(7-3-2-6-12)11-4-8-15-9-5-11;1-7-6-12-9-5-3-2-4-8(9)10(7)11;1-9(2,3)13-8(12)11-7-5-4-6-10;1-6(2,3)9-5(8)7-4;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);2*11H,2-9,12H2,1H3;2-6H,1H3;4-7,10H2,1-3H3,(H,11,12);1-4H3,(H,7,8);1-4H2;2H;1H/q+1;;;;;;;;;;;;/b;;;;;;;;;;;4-2+,5-3?;.

What are the key properties of bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride?

bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride has a molecular weight of 3400.63 g/mol, XLogP of 28.33, 57 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for bis(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-[[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;tert-butyl N-methylcarbamate;chloro(diazenyl)diazene;4-chloro-3-methylquinoline;N-[4-[(3-nitroquinolin-4-yl)amino]butyl]-N-(oxan-4-yl)acetamide;oxan-4-one;hydrochloride is sourced from PubChem (CID 162248313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).