8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate

C84H129BrN12O10Si2 — CID 164949908

IUPAC8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1CCCCO[Si](C)(C)C(C)(C)C.CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2n1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H64N6O5Si.C33H47BrN4O3Si.C9H18N2O2/c1-12-13-16-36-45-37-38(48(36)21-14-15-26-52-54(10,11)42(5,6)7)33-27-31(46-22-24-47(25-23-46)40(49)53-41(2,3)4)18-20-34(33)44-39(37)43-29-30-17-19-32(50-8)28-35(30)51-9;1-9-10-13-29-37-30-31(38(29)18-11-12-19-41-42(7,8)33(2,3)4)26-20-24(34)15-17-27(26)36-32(30)35-22-23-14-16-25(39-5)21-28(23)40-6;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h17-20,27-28H,12-16,21-26,29H2,1-11H3,(H,43,44);14-17,20-21H,9-13,18-19,22H2,1-8H3,(H,35,36);10H,4-7H2,1-3H3
InChIKeyAJRKMTDNNJLTHO-UHFFFAOYSA-N
MW1603.11 g/mol
LogP19.36
Rot. Bonds29

About 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate

8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate (PubChem CID 164949908) has the molecular formula C84H129BrN12O10Si2 and a molecular weight of 1603.11 g/mol. Its IUPAC name is 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate.

Molecular Properties

Compound Name8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
PubChem CID164949908
Molecular FormulaC84H129BrN12O10Si2
Molecular Weight1603.11 g/mol
Exact Mass1600.87
IUPAC Name8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1CCCCO[Si](C)(C)C(C)(C)C.CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2n1CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C42H64N6O5Si.C33H47BrN4O3Si.C9H18N2O2/c1-12-13-16-36-45-37-38(48(36)21-14-15-26-52-54(10,11)42(5,6)7)33-27-31(46-22-24-47(25-23-46)40(49)53-41(2,3)4)18-20-34(33)44-39(37)43-29-30-17-19-32(50-8)28-35(30)51-9;1-9-10-13-29-37-30-31(38(29)18-11-12-19-41-42(7,8)33(2,3)4)26-20-24(34)15-17-27(26)36-32(30)35-22-23-14-16-25(39-5)21-28(23)40-6;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h17-20,27-28H,12-16,21-26,29H2,1-11H3,(H,43,44);14-17,20-21H,9-13,18-19,22H2,1-8H3,(H,35,36);10H,4-7H2,1-3H3
InChIKeyAJRKMTDNNJLTHO-UHFFFAOYSA-N
XLogP19.36
TPSA215.21 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.11
LogP ≤ 519.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate with MolForge

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Related Compounds

4-(4-Amino-2-butyl-8-piperazin-1-ylimidazo[4,5-c]quinolin-1-yl)butan-1-ol;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;methane;2,2,2-trifluoroacetaldehyde
CID 164998749
Tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;2-butyl-1-[4-(dimethylamino)butyl]-8-piperazin-1-ylimidazo[4,5-c]quinolin-4-amine;oxolane;2,2,2-trifluoroacetaldehyde
CID 165056851
2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-hexyl-8-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-4-amine;2-butyl-1-hexyl-8-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetaldehyde
CID 165076998
Tert-butyl 4-[2-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]ethyl]piperazine-1-carboxylate
CID 138457291
Tert-butyl 4-[2-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]ethyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 142457263
tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]-8-(4-methylpiperazin-1-yl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 155128233
Tert-butyl 4-[2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate
CID 155128365
Tert-butyl 4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate
CID 155128425
8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]-1-[4-(dimethylamino)butyl]imidazo[4,5-c]quinolin-4-amine
CID 155140235
8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 155141375
1-(4-aminobutyl)-8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 155696688
1-(4-aminobutyl)-8-bromo-2-butyl-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 155696689

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
The IUPAC name of 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate (CID 164949908) is 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate.
What is the SMILES notation for 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
The canonical SMILES for 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1.CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1CCCCO[Si](C)(C)C(C)(C)C.CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2n1CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
The InChIKey is AJRKMTDNNJLTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H64N6O5Si.C33H47BrN4O3Si.C9H18N2O2/c1-12-13-16-36-45-37-38(48(36)21-14-15-26-52-54(10,11)42(5,6)7)33-27-31(46-22-24-47(25-23-46)40(49)53-41(2,3)4)18-20-34(33)44-39(37)43-29-30-17-19-32(50-8)28-35(30)51-9;1-9-10-13-29-37-30-31(38(29)18-11-12-19-41-42(7,8)33(2,3)4)26-20-24(34)15-17-27(26)36-32(30)35-22-23-14-16-25(39-5)21-28(23)40-6;1-9(2,3)13-8(12)11-6-4-10-5-7-11/h17-20,27-28H,12-16,21-26,29H2,1-11H3,(H,43,44);14-17,20-21H,9-13,18-19,22H2,1-8H3,(H,35,36);10H,4-7H2,1-3H3.
What are the key properties of 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate?
8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate has a molecular weight of 1603.11 g/mol, XLogP of 19.36, 29 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine;tert-butyl 4-[2-butyl-1-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-8-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate is sourced from PubChem (CID 164949908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).