2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide

C113H123F9N10O13Si — CID 158395432

IUPAC2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide
SMILESCC(C)Oc1ccc2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)ccc2c1.CCC(C)COc1ccc2nc(-c3ccc(N)cc3)ccc2c1.CCC(C)COc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc2c1.CCC(CO)O[Si](C)(C)C(C)(C)C.CCC(O)COc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc2c1.O=C(Nc1ccc(-c2ccc3cc(O)ccc3n2)cc1)C(F)(F)F
InChIInChI=1S/C23H26N2O3.C22H21F3N2O2.C21H19F3N2O3.C20H22N2O.C17H11F3N2O2.C10H24O2Si/c1-15(2)27-19-11-13-21-17(14-19)8-12-20(25-21)16-6-9-18(10-7-16)24-22(26)28-23(3,4)5;1-3-14(2)13-29-18-9-11-20-16(12-18)6-10-19(27-20)15-4-7-17(8-5-15)26-21(28)22(23,24)25;1-2-16(27)12-29-17-8-10-19-14(11-17)5-9-18(26-19)13-3-6-15(7-4-13)25-20(28)21(22,23)24;1-3-14(2)13-23-18-9-11-20-16(12-18)6-10-19(22-20)15-4-7-17(21)8-5-15;18-17(19,20)16(24)21-12-4-1-10(2-5-12)14-7-3-11-9-13(23)6-8-15(11)22-14;1-7-9(8-11)12-13(5,6)10(2,3)4/h6-15H,1-5H3,(H,24,26);4-12,14H,3,13H2,1-2H3,(H,26,28);3-11,16,27H,2,12H2,1H3,(H,25,28);4-12,14H,3,13,21H2,1-2H3;1-9,23H,(H,21,24);9,11H,7-8H2,1-6H3
InChIKeyGXMJLMMDXYYLNA-UHFFFAOYSA-N
MW2028.35 g/mol
LogP28.21
Rot. Bonds27

About 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide

2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide (PubChem CID 158395432) has the molecular formula C113H123F9N10O13Si and a molecular weight of 2028.35 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide
PubChem CID158395432
Molecular FormulaC113H123F9N10O13Si
Molecular Weight2028.35 g/mol
Exact Mass2026.89
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide
SMILESCC(C)Oc1ccc2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)ccc2c1.CCC(C)COc1ccc2nc(-c3ccc(N)cc3)ccc2c1.CCC(C)COc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc2c1.CCC(CO)O[Si](C)(C)C(C)(C)C.CCC(O)COc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc2c1.O=C(Nc1ccc(-c2ccc3cc(O)ccc3n2)cc1)C(F)(F)F
InChIInChI=1S/C23H26N2O3.C22H21F3N2O2.C21H19F3N2O3.C20H22N2O.C17H11F3N2O2.C10H24O2Si/c1-15(2)27-19-11-13-21-17(14-19)8-12-20(25-21)16-6-9-18(10-7-16)24-22(26)28-23(3,4)5;1-3-14(2)13-29-18-9-11-20-16(12-18)6-10-19(27-20)15-4-7-17(8-5-15)26-21(28)22(23,24)25;1-2-16(27)12-29-17-8-10-19-14(11-17)5-9-18(26-19)13-3-6-15(7-4-13)25-20(28)21(22,23)24;1-3-14(2)13-23-18-9-11-20-16(12-18)6-10-19(22-20)15-4-7-17(21)8-5-15;18-17(19,20)16(24)21-12-4-1-10(2-5-12)14-7-3-11-9-13(23)6-8-15(11)22-14;1-7-9(8-11)12-13(5,6)10(2,3)4/h6-15H,1-5H3,(H,24,26);4-12,14H,3,13H2,1-2H3,(H,26,28);3-11,16,27H,2,12H2,1H3,(H,25,28);4-12,14H,3,13,21H2,1-2H3;1-9,23H,(H,21,24);9,11H,7-8H2,1-6H3
InChIKeyGXMJLMMDXYYLNA-UHFFFAOYSA-N
XLogP28.21
TPSA322.94 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002028.35
LogP ≤ 528.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide 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-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide (CID 158395432) is 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide is CC(C)Oc1ccc2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)ccc2c1.CCC(C)COc1ccc2nc(-c3ccc(N)cc3)ccc2c1.CCC(C)COc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc2c1.CCC(CO)O[Si](C)(C)C(C)(C)C.CCC(O)COc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)ccc2c1.O=C(Nc1ccc(-c2ccc3cc(O)ccc3n2)cc1)C(F)(F)F.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide?
The InChIKey is GXMJLMMDXYYLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3.C22H21F3N2O2.C21H19F3N2O3.C20H22N2O.C17H11F3N2O2.C10H24O2Si/c1-15(2)27-19-11-13-21-17(14-19)8-12-20(25-21)16-6-9-18(10-7-16)24-22(26)28-23(3,4)5;1-3-14(2)13-29-18-9-11-20-16(12-18)6-10-19(27-20)15-4-7-17(8-5-15)26-21(28)22(23,24)25;1-2-16(27)12-29-17-8-10-19-14(11-17)5-9-18(26-19)13-3-6-15(7-4-13)25-20(28)21(22,23)24;1-3-14(2)13-23-18-9-11-20-16(12-18)6-10-19(22-20)15-4-7-17(21)8-5-15;18-17(19,20)16(24)21-12-4-1-10(2-5-12)14-7-3-11-9-13(23)6-8-15(11)22-14;1-7-9(8-11)12-13(5,6)10(2,3)4/h6-15H,1-5H3,(H,24,26);4-12,14H,3,13H2,1-2H3,(H,26,28);3-11,16,27H,2,12H2,1H3,(H,25,28);4-12,14H,3,13,21H2,1-2H3;1-9,23H,(H,21,24);9,11H,7-8H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide?
2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide has a molecular weight of 2028.35 g/mol, XLogP of 28.21, 27 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol;tert-butyl N-[4-(6-propan-2-yloxyquinolin-2-yl)phenyl]carbamate;4-[6-(2-methylbutoxy)quinolin-2-yl]aniline;2,2,2-trifluoro-N-[4-[6-(2-hydroxybutoxy)quinolin-2-yl]phenyl]acetamide;2,2,2-trifluoro-N-[4-(6-hydroxyquinolin-2-yl)phenyl]acetamide;2,2,2-trifluoro-N-[4-[6-(2-methylbutoxy)quinolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 158395432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).