3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine

C83H116BrF3N8O10SSi4 — CID 158327647

IUPAC3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine
SMILESBrc1cnc2ccc(OCc3ccccc3)cc2c1.CC(C)(C)[Si](C)(C)OCCN.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(O)cc2c1.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(OCc3ccccc3)cc2c1.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1
InChIInChI=1S/C24H32N2O2Si.C18H25F3N2O4SSi.C17H26N2O2Si.C16H12BrNO.C8H21NOSi/c1-24(2,3)29(4,5)28-14-13-25-21-15-20-16-22(11-12-23(20)26-17-21)27-18-19-9-7-6-8-10-19;1-17(2,3)29(4,5)26-9-8-22-14-10-13-11-15(6-7-16(13)23-12-14)27-28(24,25)18(19,20)21;1-17(2,3)22(4,5)21-9-8-18-14-10-13-11-15(20)6-7-16(13)19-12-14;17-14-8-13-9-15(6-7-16(13)18-10-14)19-11-12-4-2-1-3-5-12;1-8(2,3)11(4,5)10-7-6-9/h6-12,15-17,25H,13-14,18H2,1-5H3;6-7,10-12,22H,8-9H2,1-5H3;6-7,10-12,18,20H,8-9H2,1-5H3;1-10H,11H2;6-7,9H2,1-5H3
InChIKeyGPPKEFAFQDSGDU-UHFFFAOYSA-N
MW1667.20 g/mol
LogP22.06
Rot. Bonds26

About 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine

3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine (PubChem CID 158327647) has the molecular formula C83H116BrF3N8O10SSi4 and a molecular weight of 1667.20 g/mol. Its IUPAC name is 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine.

Molecular Properties

Compound Name3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine
PubChem CID158327647
Molecular FormulaC83H116BrF3N8O10SSi4
Molecular Weight1667.20 g/mol
Exact Mass1664.67
IUPAC Name3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine
SMILESBrc1cnc2ccc(OCc3ccccc3)cc2c1.CC(C)(C)[Si](C)(C)OCCN.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(O)cc2c1.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(OCc3ccccc3)cc2c1.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1
InChIInChI=1S/C24H32N2O2Si.C18H25F3N2O4SSi.C17H26N2O2Si.C16H12BrNO.C8H21NOSi/c1-24(2,3)29(4,5)28-14-13-25-21-15-20-16-22(11-12-23(20)26-17-21)27-18-19-9-7-6-8-10-19;1-17(2,3)29(4,5)26-9-8-22-14-10-13-11-15(6-7-16(13)23-12-14)27-28(24,25)18(19,20)21;1-17(2,3)22(4,5)21-9-8-18-14-10-13-11-15(20)6-7-16(13)19-12-14;17-14-8-13-9-15(6-7-16(13)18-10-14)19-11-12-4-2-1-3-5-12;1-8(2,3)11(4,5)10-7-6-9/h6-12,15-17,25H,13-14,18H2,1-5H3;6-7,10-12,22H,8-9H2,1-5H3;6-7,10-12,18,20H,8-9H2,1-5H3;1-10H,11H2;6-7,9H2,1-5H3
InChIKeyGPPKEFAFQDSGDU-UHFFFAOYSA-N
XLogP22.06
TPSA232.65 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.20
LogP ≤ 522.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine with MolForge

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Related Compounds

3-bromo-6-phenylmethoxyquinoline;methane;3-methylmorpholine;3-(3-methylmorpholin-4-yl)quinolin-6-ol;[3-(3-methylmorpholin-4-yl)quinolin-6-yl] trifluoromethanesulfonate;3-methyl-4-(6-phenylmethoxyquinolin-3-yl)morpholine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 158313230
3-aminoquinolin-6-ol;N-benzyl-6-phenylmethoxyquinolin-3-amine;3-bromo-6-phenylmethoxyquinoline;tert-butyl 2-(6-hydroxyquinolin-3-yl)acetate;tert-butyl 2-[6-(trifluoromethylsulfonyloxy)quinolin-3-yl]acetate;phenylmethanamine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 158905235
3-bromo-6-phenylmethoxyquinoline;3-methylmorpholine;3-(3-methylmorpholin-4-yl)quinolin-6-ol;[3-(3-methylmorpholin-4-yl)quinolin-6-yl] trifluoromethanesulfonate;3-methyl-4-(6-phenylmethoxyquinolin-3-yl)morpholine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 160827571
(3-Bromoquinolin-6-yl) acetate;1-methylpiperazine;3-(4-methylpiperazin-1-yl)quinolin-6-ol;[3-(4-methylpiperazin-1-yl)quinolin-6-yl] trifluoromethanesulfonate
CID 161489314
(3-Bromoquinolin-6-yl) acetate;4,4-difluoropiperidine;3-(4,4-difluoropiperidin-1-yl)quinolin-6-ol;[3-(4,4-difluoropiperidin-1-yl)quinolin-6-yl] trifluoromethanesulfonate
CID 161732010
(3-Bromoquinolin-6-yl) acetate;morpholine;3-morpholin-4-ylquinolin-6-ol;(3-morpholin-4-ylquinolin-6-yl) trifluoromethanesulfonate
CID 161771249

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine?
The IUPAC name of 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine (CID 158327647) is 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine.
What is the SMILES notation for 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine?
The canonical SMILES for 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine is Brc1cnc2ccc(OCc3ccccc3)cc2c1.CC(C)(C)[Si](C)(C)OCCN.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(O)cc2c1.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(OCc3ccccc3)cc2c1.CC(C)(C)[Si](C)(C)OCCNc1cnc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1.
What is the InChIKey of 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine?
The InChIKey is GPPKEFAFQDSGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2Si.C18H25F3N2O4SSi.C17H26N2O2Si.C16H12BrNO.C8H21NOSi/c1-24(2,3)29(4,5)28-14-13-25-21-15-20-16-22(11-12-23(20)26-17-21)27-18-19-9-7-6-8-10-19;1-17(2,3)29(4,5)26-9-8-22-14-10-13-11-15(6-7-16(13)23-12-14)27-28(24,25)18(19,20)21;1-17(2,3)22(4,5)21-9-8-18-14-10-13-11-15(20)6-7-16(13)19-12-14;17-14-8-13-9-15(6-7-16(13)18-10-14)19-11-12-4-2-1-3-5-12;1-8(2,3)11(4,5)10-7-6-9/h6-12,15-17,25H,13-14,18H2,1-5H3;6-7,10-12,22H,8-9H2,1-5H3;6-7,10-12,18,20H,8-9H2,1-5H3;1-10H,11H2;6-7,9H2,1-5H3.
What are the key properties of 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine?
3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine has a molecular weight of 1667.20 g/mol, XLogP of 22.06, 26 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-phenylmethoxyquinoline;2-[tert-butyl(dimethyl)silyl]oxyethanamine;3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-ol;[3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]quinolin-6-yl] trifluoromethanesulfonate;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-phenylmethoxyquinolin-3-amine is sourced from PubChem (CID 158327647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).