tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane

C100H131BF4N8O12 — CID 159423851

About tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane

tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane (PubChem CID 159423851) has the molecular formula C100H131BF4N8O12 and a molecular weight of 1724.00 g/mol. Its IUPAC name is tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane.

Molecular Properties

• Compound Name: tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane
• PubChem CID: 159423851
• Molecular Formula: C100H131BF4N8O12
• Molecular Weight: 1724.00 g/mol
• Exact Mass: 1722.99
• IUPAC Name: tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane
• SMILES: C.C.C.C.C.CCC(CF)Oc1ccc2ccc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)nc2c1.CCC(CF)Oc1ccc2ccc(-c3ccc(NC)cc3)nc2c1.CCC(CF)Oc1ccc2ccc(=O)[nH]c2c1.CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CNc1ccc(-c2ccc3ccc(OC(CO)CF)cc3n2)cc1
• InChI: InChI=1S/C25H29FN2O3.C20H21FN2O.C19H19FN2O2.C18H28BNO4.C13H14FNO2.5CH4/c1-6-20(16-26)30-21-13-9-18-10-14-22(27-23(18)15-21)17-7-11-19(12-8-17)28(5)24(29)31-25(2,3)4;1-3-17(13-21)24-18-10-6-15-7-11-19(23-20(15)12-18)14-4-8-16(22-2)9-5-14;1-21-15-6-2-13(3-7-15)18-9-5-14-4-8-16(10-19(14)22-18)24-17(11-20)12-23;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;1-2-10(8-14)17-11-5-3-9-4-6-13(16)15-12(9)7-11;;;;;/h7-15,20H,6,16H2,1-5H3;4-12,17,22H,3,13H2,1-2H3;2-10,17,21,23H,11-12H2,1H3;9-12H,1-8H3;3-7,10H,2,8H2,1H3,(H,15,16);5*1H4
• InChIKey: LQCCBKOOYDRNTN-UHFFFAOYSA-N
• XLogP: 24.32
• TPSA: 230.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1724.00
LogP ≤ 5	24.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane?

The IUPAC name of tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane (CID 159423851) is tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane.

What is the SMILES notation for tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane?

The canonical SMILES for tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane is C.C.C.C.C.CCC(CF)Oc1ccc2ccc(-c3ccc(N(C)C(=O)OC(C)(C)C)cc3)nc2c1.CCC(CF)Oc1ccc2ccc(-c3ccc(NC)cc3)nc2c1.CCC(CF)Oc1ccc2ccc(=O)[nH]c2c1.CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CNc1ccc(-c2ccc3ccc(OC(CO)CF)cc3n2)cc1.

What is the InChIKey of tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane?

The InChIKey is LQCCBKOOYDRNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3.C20H21FN2O.C19H19FN2O2.C18H28BNO4.C13H14FNO2.5CH4/c1-6-20(16-26)30-21-13-9-18-10-14-22(27-23(18)15-21)17-7-11-19(12-8-17)28(5)24(29)31-25(2,3)4;1-3-17(13-21)24-18-10-6-15-7-11-19(23-20(15)12-18)14-4-8-16(22-2)9-5-14;1-21-15-6-2-13(3-7-15)18-9-5-14-4-8-16(10-19(14)22-18)24-17(11-20)12-23;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;1-2-10(8-14)17-11-5-3-9-4-6-13(16)15-12(9)7-11;;;;;/h7-15,20H,6,16H2,1-5H3;4-12,17,22H,3,13H2,1-2H3;2-10,17,21,23H,11-12H2,1H3;9-12H,1-8H3;3-7,10H,2,8H2,1H3,(H,15,16);5*1H4.

What are the key properties of tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane?

tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane has a molecular weight of 1724.00 g/mol, XLogP of 24.32, 24 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate;tert-butyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;7-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;4-[7-(1-fluorobutan-2-yloxy)quinolin-2-yl]-N-methylaniline;3-fluoro-2-[2-[4-(methylamino)phenyl]quinolin-7-yl]oxypropan-1-ol;methane is sourced from PubChem (CID 159423851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).