2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one

C113H136BF8N9O18S — CID 158568548

IUPAC2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one
SMILESCC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CCC(CF)Oc1cccc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nc12.CCC(CF)Oc1cccc2ccc(=O)[nH]c12.CCC(CF)Oc1cccc2ccc(OS(=O)(=O)C(F)(F)F)nc12.CCC(O)CF.Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1.Nc1ccc(-c2ccc3cccc(OC(CO)CF)c3n2)cc1.O=c1ccc2cccc(O)c2[nH]1
InChIInChI=1S/C24H27FN2O3.C18H17FN2O2.C17H26BNO4.C14H13F4NO4S.C14H23N.C13H14FNO2.C9H7NO2.C4H9FO/c1-5-19(15-25)29-21-8-6-7-17-11-14-20(27-22(17)21)16-9-12-18(13-10-16)26-23(28)30-24(2,3)4;19-10-15(11-22)23-17-3-1-2-13-6-9-16(21-18(13)17)12-4-7-14(20)8-5-12;1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18;1-2-10(8-15)22-11-5-3-4-9-6-7-12(19-13(9)11)23-24(20,21)14(16,17)18;1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;1-2-10(8-14)17-11-5-3-4-9-6-7-12(16)15-13(9)11;11-7-3-1-2-6-4-5-8(12)10-9(6)7;1-2-4(6)3-5/h6-14,19H,5,15H2,1-4H3,(H,26,28);1-9,15,22H,10-11,20H2;8-11H,1-7H3,(H,19,20);3-7,10H,2,8H2,1H3;8-9H,1-7H3;3-7,10H,2,8H2,1H3,(H,15,16);1-5,11H,(H,10,12);4,6H,2-3H2,1H3
InChIKeyHRUFLRYYLCHBBN-UHFFFAOYSA-N
MW2103.24 g/mol
LogP25.09
Rot. Bonds25

About 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one

2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one (PubChem CID 158568548) has the molecular formula C113H136BF8N9O18S and a molecular weight of 2103.24 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one
PubChem CID158568548
Molecular FormulaC113H136BF8N9O18S
Molecular Weight2103.24 g/mol
Exact Mass2101.97
IUPAC Name2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one
SMILESCC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CCC(CF)Oc1cccc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nc12.CCC(CF)Oc1cccc2ccc(=O)[nH]c12.CCC(CF)Oc1cccc2ccc(OS(=O)(=O)C(F)(F)F)nc12.CCC(O)CF.Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1.Nc1ccc(-c2ccc3cccc(OC(CO)CF)c3n2)cc1.O=c1ccc2cccc(O)c2[nH]1
InChIInChI=1S/C24H27FN2O3.C18H17FN2O2.C17H26BNO4.C14H13F4NO4S.C14H23N.C13H14FNO2.C9H7NO2.C4H9FO/c1-5-19(15-25)29-21-8-6-7-17-11-14-20(27-22(17)21)16-9-12-18(13-10-16)26-23(28)30-24(2,3)4;19-10-15(11-22)23-17-3-1-2-13-6-9-16(21-18(13)17)12-4-7-14(20)8-5-12;1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18;1-2-10(8-15)22-11-5-3-4-9-6-7-12(19-13(9)11)23-24(20,21)14(16,17)18;1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;1-2-10(8-14)17-11-5-3-4-9-6-7-12(16)15-13(9)11;11-7-3-1-2-6-4-5-8(12)10-9(6)7;1-2-4(6)3-5/h6-14,19H,5,15H2,1-4H3,(H,26,28);1-9,15,22H,10-11,20H2;8-11H,1-7H3,(H,19,20);3-7,10H,2,8H2,1H3;8-9H,1-7H3;3-7,10H,2,8H2,1H3,(H,15,16);1-5,11H,(H,10,12);4,6H,2-3H2,1H3
InChIKeyHRUFLRYYLCHBBN-UHFFFAOYSA-N
XLogP25.09
TPSA379.40 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.24
LogP ≤ 525.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one (CID 158568548) is 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one is CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CCC(CF)Oc1cccc2ccc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nc12.CCC(CF)Oc1cccc2ccc(=O)[nH]c12.CCC(CF)Oc1cccc2ccc(OS(=O)(=O)C(F)(F)F)nc12.CCC(O)CF.Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1.Nc1ccc(-c2ccc3cccc(OC(CO)CF)c3n2)cc1.O=c1ccc2cccc(O)c2[nH]1.
What is the InChIKey of 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one?
The InChIKey is HRUFLRYYLCHBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3.C18H17FN2O2.C17H26BNO4.C14H13F4NO4S.C14H23N.C13H14FNO2.C9H7NO2.C4H9FO/c1-5-19(15-25)29-21-8-6-7-17-11-14-20(27-22(17)21)16-9-12-18(13-10-16)26-23(28)30-24(2,3)4;19-10-15(11-22)23-17-3-1-2-13-6-9-16(21-18(13)17)12-4-7-14(20)8-5-12;1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18;1-2-10(8-15)22-11-5-3-4-9-6-7-12(19-13(9)11)23-24(20,21)14(16,17)18;1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;1-2-10(8-14)17-11-5-3-4-9-6-7-12(16)15-13(9)11;11-7-3-1-2-6-4-5-8(12)10-9(6)7;1-2-4(6)3-5/h6-14,19H,5,15H2,1-4H3,(H,26,28);1-9,15,22H,10-11,20H2;8-11H,1-7H3,(H,19,20);3-7,10H,2,8H2,1H3;8-9H,1-7H3;3-7,10H,2,8H2,1H3,(H,15,16);1-5,11H,(H,10,12);4,6H,2-3H2,1H3.
What are the key properties of 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one?
2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one has a molecular weight of 2103.24 g/mol, XLogP of 25.09, 25 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)quinolin-8-yl]oxy-3-fluoropropan-1-ol;tert-butyl N-[4-[8-(1-fluorobutan-2-yloxy)quinolin-2-yl]phenyl]carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2,6-ditert-butyl-4-methylpyridine;1-fluorobutan-2-ol;8-(1-fluorobutan-2-yloxy)-1H-quinolin-2-one;[8-(1-fluorobutan-2-yloxy)quinolin-2-yl] trifluoromethanesulfonate;8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 158568548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).