2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide

C146H166F12N12O18Si2 — CID 157448919

About 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide

2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide (PubChem CID 157448919) has the molecular formula C146H166F12N12O18Si2 and a molecular weight of 2661.15 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide
• PubChem CID: 157448919
• Molecular Formula: C146H166F12N12O18Si2
• Molecular Weight: 2661.15 g/mol
• Exact Mass: 2659.18
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide
• SMILES: CCC(CO)O[Si](C)(C)C(C)(C)C.CCC(COc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1)OC1CCCCO1.CCC(COc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1)O[Si](C)(C)C(C)(C)C.CCC(COc1ccc2ccc(-c3ccc(NC)cc3)nc2c1)OC1CCCCO1.CCC(O)COc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1.CN(C(=O)C(F)(F)F)c1ccc(-c2ccc3ccc(O)cc3n2)cc1.CNc1ccc(-c2ccc3ccc(O)cc3n2)cc1
• InChI: InChI=1S/C28H35F3N2O3Si.C27H29F3N2O4.C25H30N2O3.C22H21F3N2O3.C18H13F3N2O2.C16H14N2O.C10H24O2Si/c1-8-22(36-37(6,7)27(2,3)4)18-35-23-15-11-20-12-16-24(32-25(20)17-23)19-9-13-21(14-10-19)33(5)26(34)28(29,30)31;1-3-21(36-25-6-4-5-15-34-25)17-35-22-13-9-19-10-14-23(31-24(19)16-22)18-7-11-20(12-8-18)32(2)26(33)27(28,29)30;1-3-21(30-25-6-4-5-15-28-25)17-29-22-13-9-19-10-14-23(27-24(19)16-22)18-7-11-20(26-2)12-8-18;1-3-17(28)13-30-18-10-6-15-7-11-19(26-20(15)12-18)14-4-8-16(9-5-14)27(2)21(29)22(23,24)25;1-23(17(25)18(19,20)21)13-6-2-11(3-7-13)15-9-5-12-4-8-14(24)10-16(12)22-15;1-17-13-6-2-11(3-7-13)15-9-5-12-4-8-14(19)10-16(12)18-15;1-7-9(8-11)12-13(5,6)10(2,3)4/h9-17,22H,8,18H2,1-7H3;7-14,16,21,25H,3-6,15,17H2,1-2H3;7-14,16,21,25-26H,3-6,15,17H2,1-2H3;4-12,17,28H,3,13H2,1-2H3;2-10,24H,1H3;2-10,17,19H,1H3;9,11H,7-8H2,1-6H3
• InChIKey: BSOFMLQGVFAGPV-UHFFFAOYSA-N
• XLogP: 34.51
• TPSA: 355.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2661.15
LogP ≤ 5	34.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide (CID 157448919) is 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide is CCC(CO)O[Si](C)(C)C(C)(C)C.CCC(COc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1)OC1CCCCO1.CCC(COc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1)O[Si](C)(C)C(C)(C)C.CCC(COc1ccc2ccc(-c3ccc(NC)cc3)nc2c1)OC1CCCCO1.CCC(O)COc1ccc2ccc(-c3ccc(N(C)C(=O)C(F)(F)F)cc3)nc2c1.CN(C(=O)C(F)(F)F)c1ccc(-c2ccc3ccc(O)cc3n2)cc1.CNc1ccc(-c2ccc3ccc(O)cc3n2)cc1.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?

The InChIKey is BSOFMLQGVFAGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N2O3Si.C27H29F3N2O4.C25H30N2O3.C22H21F3N2O3.C18H13F3N2O2.C16H14N2O.C10H24O2Si/c1-8-22(36-37(6,7)27(2,3)4)18-35-23-15-11-20-12-16-24(32-25(20)17-23)19-9-13-21(14-10-19)33(5)26(34)28(29,30)31;1-3-21(36-25-6-4-5-15-34-25)17-35-22-13-9-19-10-14-23(31-24(19)16-22)18-7-11-20(12-8-18)32(2)26(33)27(28,29)30;1-3-21(30-25-6-4-5-15-28-25)17-29-22-13-9-19-10-14-23(27-24(19)16-22)18-7-11-20(26-2)12-8-18;1-3-17(28)13-30-18-10-6-15-7-11-19(26-20(15)12-18)14-4-8-16(9-5-14)27(2)21(29)22(23,24)25;1-23(17(25)18(19,20)21)13-6-2-11(3-7-13)15-9-5-12-4-8-14(24)10-16(12)22-15;1-17-13-6-2-11(3-7-13)15-9-5-12-4-8-14(19)10-16(12)18-15;1-7-9(8-11)12-13(5,6)10(2,3)4/h9-17,22H,8,18H2,1-7H3;7-14,16,21,25H,3-6,15,17H2,1-2H3;7-14,16,21,25-26H,3-6,15,17H2,1-2H3;4-12,17,28H,3,13H2,1-2H3;2-10,24H,1H3;2-10,17,19H,1H3;9,11H,7-8H2,1-6H3.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide?

2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide has a molecular weight of 2661.15 g/mol, XLogP of 34.51, 38 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;N-[4-[7-[2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]phenyl]-2,2,2-trifluoro-N-methylacetamide;2-[4-(methylamino)phenyl]quinolin-7-ol;N-methyl-4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[7-(2-hydroxybutoxy)quinolin-2-yl]phenyl]-N-methylacetamide;2,2,2-trifluoro-N-[4-(7-hydroxyquinolin-2-yl)phenyl]-N-methylacetamide;2,2,2-trifluoro-N-methyl-N-[4-[7-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 157448919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).