2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline

C135H176BClN10O18Si — CID 159128175

IUPAC2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline
SMILESCC(C)Oc1ccc2nc(Cl)ccc2c1.CCC(CO)O[Si](C)(C)C(C)(C)C.CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(OC(C)C)ccc3n2)cc1.CCN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CCNc1ccc(-c2ccc3cc(OCC(CC)OC4CCCCO4)ccc3n2)cc1.CCNc1ccc(-c2ccc3cc(OCC(O)CC)ccc3n2)cc1
InChIInChI=1S/C26H32N2O3.C25H30N2O3.C22H24N2O3.C21H24N2O2.C19H30BNO4.C12H12ClNO.C10H24O2Si/c1-3-22(31-26-7-5-6-16-29-26)18-30-23-13-15-25-20(17-23)10-14-24(28-25)19-8-11-21(12-9-19)27-4-2;1-7-27(24(28)30-25(4,5)6)20-11-8-18(9-12-20)22-14-10-19-16-21(29-17(2)3)13-15-23(19)26-22;1-5-24(21(26)27-22(2,3)4)17-9-6-15(7-10-17)19-12-8-16-14-18(25)11-13-20(16)23-19;1-3-18(24)14-25-19-10-12-21-16(13-19)7-11-20(23-21)15-5-8-17(9-6-15)22-4-2;1-9-21(16(22)23-17(2,3)4)15-12-10-14(11-13-15)20-24-18(5,6)19(7,8)25-20;1-8(2)15-10-4-5-11-9(7-10)3-6-12(13)14-11;1-7-9(8-11)12-13(5,6)10(2,3)4/h8-15,17,22,26-27H,3-7,16,18H2,1-2H3;8-17H,7H2,1-6H3;6-14,25H,5H2,1-4H3;5-13,18,22,24H,3-4,14H2,1-2H3;10-13H,9H2,1-8H3;3-8H,1-2H3;9,11H,7-8H2,1-6H3
InChIKeyKGNQPGDDLDSVGW-UHFFFAOYSA-N
MW2301.30 g/mol
LogP32.54
Rot. Bonds33

About 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline

2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline (PubChem CID 159128175) has the molecular formula C135H176BClN10O18Si and a molecular weight of 2301.30 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline
PubChem CID159128175
Molecular FormulaC135H176BClN10O18Si
Molecular Weight2301.30 g/mol
Exact Mass2299.27
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline
SMILESCC(C)Oc1ccc2nc(Cl)ccc2c1.CCC(CO)O[Si](C)(C)C(C)(C)C.CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(OC(C)C)ccc3n2)cc1.CCN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CCNc1ccc(-c2ccc3cc(OCC(CC)OC4CCCCO4)ccc3n2)cc1.CCNc1ccc(-c2ccc3cc(OCC(O)CC)ccc3n2)cc1
InChIInChI=1S/C26H32N2O3.C25H30N2O3.C22H24N2O3.C21H24N2O2.C19H30BNO4.C12H12ClNO.C10H24O2Si/c1-3-22(31-26-7-5-6-16-29-26)18-30-23-13-15-25-20(17-23)10-14-24(28-25)19-8-11-21(12-9-19)27-4-2;1-7-27(24(28)30-25(4,5)6)20-11-8-18(9-12-20)22-14-10-19-16-21(29-17(2)3)13-15-23(19)26-22;1-5-24(21(26)27-22(2,3)4)17-9-6-15(7-10-17)19-12-8-16-14-18(25)11-13-20(16)23-19;1-3-18(24)14-25-19-10-12-21-16(13-19)7-11-20(23-21)15-5-8-17(9-6-15)22-4-2;1-9-21(16(22)23-17(2,3)4)15-12-10-14(11-13-15)20-24-18(5,6)19(7,8)25-20;1-8(2)15-10-4-5-11-9(7-10)3-6-12(13)14-11;1-7-9(8-11)12-13(5,6)10(2,3)4/h8-15,17,22,26-27H,3-7,16,18H2,1-2H3;8-17H,7H2,1-6H3;6-14,25H,5H2,1-4H3;5-13,18,22,24H,3-4,14H2,1-2H3;10-13H,9H2,1-8H3;3-8H,1-2H3;9,11H,7-8H2,1-6H3
InChIKeyKGNQPGDDLDSVGW-UHFFFAOYSA-N
XLogP32.54
TPSA320.89 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002301.30
LogP ≤ 532.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline (CID 159128175) is 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline is CC(C)Oc1ccc2nc(Cl)ccc2c1.CCC(CO)O[Si](C)(C)C(C)(C)C.CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.CCN(C(=O)OC(C)(C)C)c1ccc(-c2ccc3cc(OC(C)C)ccc3n2)cc1.CCN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.CCNc1ccc(-c2ccc3cc(OCC(CC)OC4CCCCO4)ccc3n2)cc1.CCNc1ccc(-c2ccc3cc(OCC(O)CC)ccc3n2)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline?
The InChIKey is KGNQPGDDLDSVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3.C25H30N2O3.C22H24N2O3.C21H24N2O2.C19H30BNO4.C12H12ClNO.C10H24O2Si/c1-3-22(31-26-7-5-6-16-29-26)18-30-23-13-15-25-20(17-23)10-14-24(28-25)19-8-11-21(12-9-19)27-4-2;1-7-27(24(28)30-25(4,5)6)20-11-8-18(9-12-20)22-14-10-19-16-21(29-17(2)3)13-15-23(19)26-22;1-5-24(21(26)27-22(2,3)4)17-9-6-15(7-10-17)19-12-8-16-14-18(25)11-13-20(16)23-19;1-3-18(24)14-25-19-10-12-21-16(13-19)7-11-20(23-21)15-5-8-17(9-6-15)22-4-2;1-9-21(16(22)23-17(2,3)4)15-12-10-14(11-13-15)20-24-18(5,6)19(7,8)25-20;1-8(2)15-10-4-5-11-9(7-10)3-6-12(13)14-11;1-7-9(8-11)12-13(5,6)10(2,3)4/h8-15,17,22,26-27H,3-7,16,18H2,1-2H3;8-17H,7H2,1-6H3;6-14,25H,5H2,1-4H3;5-13,18,22,24H,3-4,14H2,1-2H3;10-13H,9H2,1-8H3;3-8H,1-2H3;9,11H,7-8H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline?
2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline has a molecular weight of 2301.30 g/mol, XLogP of 32.54, 33 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-ethyl-N-[4-(6-hydroxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;tert-butyl N-ethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-chloro-6-propan-2-yloxyquinoline;1-[2-[4-(ethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N-ethyl-4-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline is sourced from PubChem (CID 159128175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).