1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride

C93H140Br2ClN19O13P3+ — CID 159401781

About 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride

1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride (PubChem CID 159401781) has the molecular formula C93H140Br2ClN19O13P3+ and a molecular weight of 2021.45 g/mol. Its IUPAC name is 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride.

Molecular Properties

• Compound Name: 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride
• PubChem CID: 159401781
• Molecular Formula: C93H140Br2ClN19O13P3+
• Molecular Weight: 2021.45 g/mol
• Exact Mass: 2017.82
• IUPAC Name: 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride
• SMILES: CCCCc1nc2c(N)nc3cc(Br)ccc3c2n1OCCCCNC(=O)OC(C)(C)C.CCCCc1nc2c(N)nc3cc(P(C)(C)=O)ccc3c2n1OCCCCN.CCCCc1nc2c(N)nc3cc(P(C)(C)=O)ccc3c2n1OCCCCNC(=O)OC(C)(C)C.CCCCc1nc2cnc3cc(Br)ccc3c2n1OCCCCNC(=O)OC(C)(C)C.C[P+](C)=O.Cl.[H][2H]
• InChI: InChI=1S/C25H38N5O4P.C23H32BrN5O3.C23H31BrN4O3.C20H30N5O2P.C2H6OP.ClH.H2/c1-7-8-11-20-29-21-22(18-13-12-17(35(5,6)32)16-19(18)28-23(21)26)30(20)33-15-10-9-14-27-24(31)34-25(2,3)4;1-5-6-9-18-28-19-20(16-11-10-15(24)14-17(16)27-21(19)25)29(18)31-13-8-7-12-26-22(30)32-23(2,3)4;1-5-6-9-20-27-19-15-26-18-14-16(24)10-11-17(18)21(19)28(20)30-13-8-7-12-25-22(29)31-23(2,3)4;1-4-5-8-17-24-18-19(25(17)27-12-7-6-11-21)15-10-9-14(28(2,3)26)13-16(15)23-20(18)22;1-4(2)3;;/h12-13,16H,7-11,14-15H2,1-6H3,(H2,26,28)(H,27,31);10-11,14H,5-9,12-13H2,1-4H3,(H2,25,27)(H,26,30);10-11,14-15H,5-9,12-13H2,1-4H3,(H,25,29);9-10,13H,4-8,11-12,21H2,1-3H3,(H2,22,23);1-2H3;2*1H/q;;;;+1;;/i;;;;;;1+1
• InChIKey: SJKMHBRNJCVSPQ-KTTJZPQESA-N
• XLogP: 19.59
• TPSA: 430.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 37
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2021.45
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride?

The IUPAC name of 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride (CID 159401781) is 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride.

What is the SMILES notation for 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride?

The canonical SMILES for 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride is CCCCc1nc2c(N)nc3cc(Br)ccc3c2n1OCCCCNC(=O)OC(C)(C)C.CCCCc1nc2c(N)nc3cc(P(C)(C)=O)ccc3c2n1OCCCCN.CCCCc1nc2c(N)nc3cc(P(C)(C)=O)ccc3c2n1OCCCCNC(=O)OC(C)(C)C.CCCCc1nc2cnc3cc(Br)ccc3c2n1OCCCCNC(=O)OC(C)(C)C.C[P+](C)=O.Cl.[H][2H].

What is the InChIKey of 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride?

The InChIKey is SJKMHBRNJCVSPQ-KTTJZPQESA-N. The full InChI is InChI=1S/C25H38N5O4P.C23H32BrN5O3.C23H31BrN4O3.C20H30N5O2P.C2H6OP.ClH.H2/c1-7-8-11-20-29-21-22(18-13-12-17(35(5,6)32)16-19(18)28-23(21)26)30(20)33-15-10-9-14-27-24(31)34-25(2,3)4;1-5-6-9-18-28-19-20(16-11-10-15(24)14-17(16)27-21(19)25)29(18)31-13-8-7-12-26-22(30)32-23(2,3)4;1-5-6-9-20-27-19-15-26-18-14-16(24)10-11-17(18)21(19)28(20)30-13-8-7-12-25-22(29)31-23(2,3)4;1-4-5-8-17-24-18-19(25(17)27-12-7-6-11-21)15-10-9-14(28(2,3)26)13-16(15)23-20(18)22;1-4(2)3;;/h12-13,16H,7-11,14-15H2,1-6H3,(H2,26,28)(H,27,31);10-11,14H,5-9,12-13H2,1-4H3,(H2,25,27)(H,26,30);10-11,14-15H,5-9,12-13H2,1-4H3,(H,25,29);9-10,13H,4-8,11-12,21H2,1-3H3,(H2,22,23);1-2H3;2*1H/q;;;;+1;;/i;;;;;;1+1.

What are the key properties of 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride?

1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride has a molecular weight of 2021.45 g/mol, XLogP of 19.59, 37 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride is sourced from PubChem (CID 159401781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).