2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate

C90H122N12O15Si — CID 139185374

IUPAC2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
SMILESCC(C)COc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2cccc3c(OCC(C)C)cc(C(=O)N[C@H](CC(C)C)C(=O)Nc4cccc5c(OCC(C)C)cc(C(=O)N[C@H](CC(C)C)C(=O)Nc6cccc7c(OCC(C)C)cc(C(=O)OCC[Si](C)(C)C)nc67)nc45)nc23)nc2c(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cccc12
InChIInChI=1S/C90H122N12O15Si/c1-49(2)37-65(81(103)95-62-32-24-28-58-74(114-46-54(11)12)42-70(92-78(58)62)86(108)101-67(39-51(5)6)83(105)97-64-34-26-30-60-76(116-48-56(15)16)44-72(94-80(60)64)88(110)112-35-36-118(20,21)22)99-85(107)69-41-73(113-45-53(9)10)57-27-23-31-61(77(57)91-69)96-82(104)66(38-50(3)4)100-87(109)71-43-75(115-47-55(13)14)59-29-25-33-63(79(59)93-71)98-84(106)68(40-52(7)8)102-89(111)117-90(17,18)19/h23-34,41-44,49-56,65-68H,35-40,45-48H2,1-22H3,(H,95,103)(H,96,104)(H,97,105)(H,98,106)(H,99,107)(H,100,109)(H,101,108)(H,102,111)/t65-,66-,67-,68-/m1/s1
InChIKeyPTFAZECZRHEZEK-PEBOPEEISA-N
MW1640.12 g/mol
LogP16.74
Rot. Bonds39

About 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate

2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate (PubChem CID 139185374) has the molecular formula C90H122N12O15Si and a molecular weight of 1640.12 g/mol. Its IUPAC name is 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
PubChem CID139185374
Molecular FormulaC90H122N12O15Si
Molecular Weight1640.12 g/mol
Exact Mass1638.89
IUPAC Name2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
SMILESCC(C)COc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2cccc3c(OCC(C)C)cc(C(=O)N[C@H](CC(C)C)C(=O)Nc4cccc5c(OCC(C)C)cc(C(=O)N[C@H](CC(C)C)C(=O)Nc6cccc7c(OCC(C)C)cc(C(=O)OCC[Si](C)(C)C)nc67)nc45)nc23)nc2c(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cccc12
InChIInChI=1S/C90H122N12O15Si/c1-49(2)37-65(81(103)95-62-32-24-28-58-74(114-46-54(11)12)42-70(92-78(58)62)86(108)101-67(39-51(5)6)83(105)97-64-34-26-30-60-76(116-48-56(15)16)44-72(94-80(60)64)88(110)112-35-36-118(20,21)22)99-85(107)69-41-73(113-45-53(9)10)57-27-23-31-61(77(57)91-69)96-82(104)66(38-50(3)4)100-87(109)71-43-75(115-47-55(13)14)59-29-25-33-63(79(59)93-71)98-84(106)68(40-52(7)8)102-89(111)117-90(17,18)19/h23-34,41-44,49-56,65-68H,35-40,45-48H2,1-22H3,(H,95,103)(H,96,104)(H,97,105)(H,98,106)(H,99,107)(H,100,109)(H,101,108)(H,102,111)/t65-,66-,67-,68-/m1/s1
InChIKeyPTFAZECZRHEZEK-PEBOPEEISA-N
XLogP16.74
TPSA356.81 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds39
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001640.12
LogP ≤ 516.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Ethoxy-8-[[4-hydroxy-8-[[4-hydroxy-8-[[4-(2-methylpropoxy)-8-[4-[3-[[(4-sulfamoylbenzoyl)amino]methyl]phenoxy]butylcarbamoylamino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carbonyl]amino]quinoline-2-carboxylic acid
CID 71741441
2-N,9-N-bis[4-(2-piperidin-1-ylethoxy)phenyl]-1,10-phenanthroline-2,9-dicarboxamide
CID 52914803
2-[2-[[4-Butan-2-yloxy-2-[[4-(carboxymethoxy)-2-methoxycarbonylquinolin-8-yl]carbamoyl]quinolin-8-yl]carbamoyl]-8-[(4-butan-2-yloxy-8-nitroquinoline-2-carbonyl)amino]quinolin-4-yl]oxyacetic acid
CID 171347416
4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-({[4-(3-Aminopropoxy)-8-Nitroquinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinoline-2-Carboxylic Acid
CID 101440415
Methyl 8-[[4-(2-methylpropoxy)-8-nitroquinoline-2-carbonyl]amino]-4-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]quinoline-2-carboxylate
CID 11974138
bis(4,7-bis(2-methylpropoxy)-9-N-phenyl-2-N-[(1R)-1-phenylethyl]-1,10-phenanthrolin-10-ium-2,9-dicarboxamide);bis(trifluoromethanesulfonate)
CID 139038660
4-[(R)-3-Fluoro-2-({7-methyl-4-[2-(4-tert-Butoxycarbonyl-piperazin-1-yl)-2-oxo-ethoxy]-quinoline-2-carbonyl}-amino)-propionyl]-piperazine-1-carboxylic acid butyl ester
CID 68598411
Tert-butyl 4-[2-[2-[[1-(4-butoxycarbonylpiperazin-1-yl)-3-fluoro-1-oxopropan-2-yl]carbamoyl]-7-methylquinolin-4-yl]oxyacetyl]piperazine-1-carboxylate
CID 68598414
butyl 4-[(2R)-3-fluoro-2-[[7-methyl-4-(2-oxo-2-piperazin-1-ylethoxy)quinoline-2-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 68600075
Butyl 4-[3-fluoro-2-[[7-methyl-4-(2-oxo-2-piperazin-1-ylethoxy)quinoline-2-carbonyl]amino]propanoyl]piperazine-1-carboxylate
CID 68600081
6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide
CID 91471113
4-(3-Aminopropoxy)-8-[[[4-(3-aminopropoxy)-8-[[[4-(3-aminopropoxy)-8-[[[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]-hydroxymethylidene]amino]quinolin-2-yl]-hydroxymethylidene]amino]quinolin-2-yl]-hydroxymethylidene]amino]quinoline-2-carboxylic acid
CID 136901841

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate (CID 139185374) is 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate is CC(C)COc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2cccc3c(OCC(C)C)cc(C(=O)N[C@H](CC(C)C)C(=O)Nc4cccc5c(OCC(C)C)cc(C(=O)N[C@H](CC(C)C)C(=O)Nc6cccc7c(OCC(C)C)cc(C(=O)OCC[Si](C)(C)C)nc67)nc45)nc23)nc2c(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cccc12.
What is the InChIKey of 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
The InChIKey is PTFAZECZRHEZEK-PEBOPEEISA-N. The full InChI is InChI=1S/C90H122N12O15Si/c1-49(2)37-65(81(103)95-62-32-24-28-58-74(114-46-54(11)12)42-70(92-78(58)62)86(108)101-67(39-51(5)6)83(105)97-64-34-26-30-60-76(116-48-56(15)16)44-72(94-80(60)64)88(110)112-35-36-118(20,21)22)99-85(107)69-41-73(113-45-53(9)10)57-27-23-31-61(77(57)91-69)96-82(104)66(38-50(3)4)100-87(109)71-43-75(115-47-55(13)14)59-29-25-33-63(79(59)93-71)98-84(106)68(40-52(7)8)102-89(111)117-90(17,18)19/h23-34,41-44,49-56,65-68H,35-40,45-48H2,1-22H3,(H,95,103)(H,96,104)(H,97,105)(H,98,106)(H,99,107)(H,100,109)(H,101,108)(H,102,111)/t65-,66-,67-,68-/m1/s1.
What are the key properties of 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate?
2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate has a molecular weight of 1640.12 g/mol, XLogP of 16.74, 39 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[[8-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]pentanoyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate is sourced from PubChem (CID 139185374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).