[3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C149H178BCl2N17O28S3Si3 — CID 157258684

IUPAC[3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCN(C)c1ccc2nc(-c3ccc([N+](=O)[O-])c(O)c3)ccc2c1.CN(C)c1ccc2nc(-c3ccc([N+](=O)[O-])c(O)c3)ccc2c1.CN(C)c1ccc2nc(Cl)ccc2c1.COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1[N+](=O)[O-].Cc1ccc(S(=O)(=O)OCC(CO)O[Si](C)(C)C(C)(C)C)cc1.Cc1ccc(S(=O)(=O)OCC(COc2cc(-c3ccc4cc(N(C)C)ccc4n3)ccc2N)O[Si](C)(C)C(C)(C)C)cc1.Cc1ccc(S(=O)(=O)OCC(COc2cc(-c3ccc4cc(N(C)C)ccc4n3)ccc2[N+](=O)[O-])O[Si](C)(C)C(C)(C)C)cc1.Nc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C33H41N3O7SSi.C33H43N3O5SSi.2C17H15N3O3.C16H28O5SSi.C13H18BNO5.C11H11ClN2.C9H7ClN2/c1-23-9-14-28(15-10-23)44(39,40)42-22-27(43-45(7,8)33(2,3)4)21-41-32-20-25(12-18-31(32)36(37)38)29-16-11-24-19-26(35(5)6)13-17-30(24)34-29;1-23-9-14-28(15-10-23)42(37,38)40-22-27(41-43(7,8)33(2,3)4)21-39-32-20-25(11-16-29(32)34)30-17-12-24-19-26(36(5)6)13-18-31(24)35-30;2*1-19(2)13-5-7-15-11(9-13)3-6-14(18-15)12-4-8-16(20(22)23)17(21)10-12;1-13-7-9-15(10-8-13)22(18,19)20-12-14(11-17)21-23(5,6)16(2,3)4;1-12(2)13(3,4)20-14(19-12)9-6-7-10(15(16)17)11(8-9)18-5;1-14(2)9-4-5-10-8(7-9)3-6-11(12)13-10;10-9-4-1-6-5-7(11)2-3-8(6)12-9/h9-20,27H,21-22H2,1-8H3;9-20,27H,21-22,34H2,1-8H3;2*3-10,21H,1-2H3;7-10,14,17H,11-12H2,1-6H3;6-8H,1-5H3;3-7H,1-2H3;1-5H,11H2
InChIKeyAXESXLYXGQNIAZ-UHFFFAOYSA-N
MW2917.33 g/mol
LogP31.97
Rot. Bonds40

About [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

[3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 157258684) has the molecular formula C149H178BCl2N17O28S3Si3 and a molecular weight of 2917.33 g/mol. Its IUPAC name is [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name[3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID157258684
Molecular FormulaC149H178BCl2N17O28S3Si3
Molecular Weight2917.33 g/mol
Exact Mass2914.10
IUPAC Name[3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCN(C)c1ccc2nc(-c3ccc([N+](=O)[O-])c(O)c3)ccc2c1.CN(C)c1ccc2nc(-c3ccc([N+](=O)[O-])c(O)c3)ccc2c1.CN(C)c1ccc2nc(Cl)ccc2c1.COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1[N+](=O)[O-].Cc1ccc(S(=O)(=O)OCC(CO)O[Si](C)(C)C(C)(C)C)cc1.Cc1ccc(S(=O)(=O)OCC(COc2cc(-c3ccc4cc(N(C)C)ccc4n3)ccc2N)O[Si](C)(C)C(C)(C)C)cc1.Cc1ccc(S(=O)(=O)OCC(COc2cc(-c3ccc4cc(N(C)C)ccc4n3)ccc2[N+](=O)[O-])O[Si](C)(C)C(C)(C)C)cc1.Nc1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C33H41N3O7SSi.C33H43N3O5SSi.2C17H15N3O3.C16H28O5SSi.C13H18BNO5.C11H11ClN2.C9H7ClN2/c1-23-9-14-28(15-10-23)44(39,40)42-22-27(43-45(7,8)33(2,3)4)21-41-32-20-25(12-18-31(32)36(37)38)29-16-11-24-19-26(35(5)6)13-17-30(24)34-29;1-23-9-14-28(15-10-23)42(37,38)40-22-27(41-43(7,8)33(2,3)4)21-39-32-20-25(11-16-29(32)34)30-17-12-24-19-26(36(5)6)13-18-31(24)35-30;2*1-19(2)13-5-7-15-11(9-13)3-6-14(18-15)12-4-8-16(20(22)23)17(21)10-12;1-13-7-9-15(10-8-13)22(18,19)20-12-14(11-17)21-23(5,6)16(2,3)4;1-12(2)13(3,4)20-14(19-12)9-6-7-10(15(16)17)11(8-9)18-5;1-14(2)9-4-5-10-8(7-9)3-6-11(12)13-10;10-9-4-1-6-5-7(11)2-3-8(6)12-9/h9-20,27H,21-22H2,1-8H3;9-20,27H,21-22,34H2,1-8H3;2*3-10,21H,1-2H3;7-10,14,17H,11-12H2,1-6H3;6-8H,1-5H3;3-7H,1-2H3;1-5H,11H2
InChIKeyAXESXLYXGQNIAZ-UHFFFAOYSA-N
XLogP31.97
TPSA582.78 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds40
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002917.33
LogP ≤ 531.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 157258684) is [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CN(C)c1ccc2nc(-c3ccc([N+](=O)[O-])c(O)c3)ccc2c1.CN(C)c1ccc2nc(-c3ccc([N+](=O)[O-])c(O)c3)ccc2c1.CN(C)c1ccc2nc(Cl)ccc2c1.COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1[N+](=O)[O-].Cc1ccc(S(=O)(=O)OCC(CO)O[Si](C)(C)C(C)(C)C)cc1.Cc1ccc(S(=O)(=O)OCC(COc2cc(-c3ccc4cc(N(C)C)ccc4n3)ccc2N)O[Si](C)(C)C(C)(C)C)cc1.Cc1ccc(S(=O)(=O)OCC(COc2cc(-c3ccc4cc(N(C)C)ccc4n3)ccc2[N+](=O)[O-])O[Si](C)(C)C(C)(C)C)cc1.Nc1ccc2nc(Cl)ccc2c1.
What is the InChIKey of [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AXESXLYXGQNIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O7SSi.C33H43N3O5SSi.2C17H15N3O3.C16H28O5SSi.C13H18BNO5.C11H11ClN2.C9H7ClN2/c1-23-9-14-28(15-10-23)44(39,40)42-22-27(43-45(7,8)33(2,3)4)21-41-32-20-25(12-18-31(32)36(37)38)29-16-11-24-19-26(35(5)6)13-17-30(24)34-29;1-23-9-14-28(15-10-23)42(37,38)40-22-27(41-43(7,8)33(2,3)4)21-39-32-20-25(11-16-29(32)34)30-17-12-24-19-26(36(5)6)13-18-31(24)35-30;2*1-19(2)13-5-7-15-11(9-13)3-6-14(18-15)12-4-8-16(20(22)23)17(21)10-12;1-13-7-9-15(10-8-13)22(18,19)20-12-14(11-17)21-23(5,6)16(2,3)4;1-12(2)13(3,4)20-14(19-12)9-6-7-10(15(16)17)11(8-9)18-5;1-14(2)9-4-5-10-8(7-9)3-6-11(12)13-10;10-9-4-1-6-5-7(11)2-3-8(6)12-9/h9-20,27H,21-22H2,1-8H3;9-20,27H,21-22,34H2,1-8H3;2*3-10,21H,1-2H3;7-10,14,17H,11-12H2,1-6H3;6-8H,1-5H3;3-7H,1-2H3;1-5H,11H2.
What are the key properties of [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
[3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2917.33 g/mol, XLogP of 31.97, 40 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-5-[6-(dimethylamino)quinolin-2-yl]phenoxy]-2-[tert-butyl(dimethyl)silyl]oxypropyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-[5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenoxy]propyl] 4-methylbenzenesulfonate;[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl] 4-methylbenzenesulfonate;2-chloro-N,N-dimethylquinolin-6-amine;2-chloroquinolin-6-amine;bis(5-[6-(dimethylamino)quinolin-2-yl]-2-nitrophenol);2-(3-methoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157258684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).