tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol

C85H113BClF3N6O12Si2 — CID 161009996

About tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol

tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol (PubChem CID 161009996) has the molecular formula C85H113BClF3N6O12Si2 and a molecular weight of 1570.30 g/mol. Its IUPAC name is tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol.

Molecular Properties

• Compound Name: tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol
• PubChem CID: 161009996
• Molecular Formula: C85H113BClF3N6O12Si2
• Molecular Weight: 1570.30 g/mol
• Exact Mass: 1568.77
• IUPAC Name: tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol
• SMILES: CC(C)(C)[Si](C)(C)OC(CF)COc1ccc2nc(Cl)ccc2c1.CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(OCC(CF)O[Si](C)(C)C(C)(C)C)ccc3n2)cc1.CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CNc1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cc1
• InChI: InChI=1S/C30H41FN2O4Si.C19H19FN2O2.C18H28BNO4.C18H25ClFNO2Si/c1-29(2,3)36-28(34)33(7)23-13-10-21(11-14-23)26-16-12-22-18-24(15-17-27(22)32-26)35-20-25(19-31)37-38(8,9)30(4,5)6;1-21-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)22-18)24-12-16(23)11-20;1-16(2,3)22-15(21)20(8)14-11-9-13(10-12-14)19-23-17(4,5)18(6,7)24-19;1-18(2,3)24(4,5)23-15(11-20)12-22-14-7-8-16-13(10-14)6-9-17(19)21-16/h10-18,25H,19-20H2,1-9H3;2-10,16,21,23H,11-12H2,1H3;9-12H,1-8H3;6-10,15H,11-12H2,1-5H3
• InChIKey: TWZXONMYCLDAPD-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 194.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.30
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?

The IUPAC name of tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol (CID 161009996) is tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol.

What is the SMILES notation for tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?

The canonical SMILES for tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol is CC(C)(C)[Si](C)(C)OC(CF)COc1ccc2nc(Cl)ccc2c1.CN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(OCC(CF)O[Si](C)(C)C(C)(C)C)ccc3n2)cc1.CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CNc1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cc1.

What is the InChIKey of tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?

The InChIKey is TWZXONMYCLDAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41FN2O4Si.C19H19FN2O2.C18H28BNO4.C18H25ClFNO2Si/c1-29(2,3)36-28(34)33(7)23-13-10-21(11-14-23)26-16-12-22-18-24(15-17-27(22)32-26)35-20-25(19-31)37-38(8,9)30(4,5)6;1-21-15-5-2-13(3-6-15)18-8-4-14-10-17(7-9-19(14)22-18)24-12-16(23)11-20;1-16(2,3)22-15(21)20(8)14-11-9-13(10-12-14)19-23-17(4,5)18(6,7)24-19;1-18(2,3)24(4,5)23-15(11-20)12-22-14-7-8-16-13(10-14)6-9-17(19)21-16/h10-18,25H,19-20H2,1-9H3;2-10,16,21,23H,11-12H2,1H3;9-12H,1-8H3;6-10,15H,11-12H2,1-5H3.

What are the key properties of tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol?

tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol has a molecular weight of 1570.30 g/mol, XLogP of 20.65, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[6-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl-[1-(2-chloroquinolin-6-yl)oxy-3-fluoropropan-2-yl]oxy-dimethylsilane;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;1-fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 161009996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).