tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide

C100H128N12O15SSi2 — CID 157136769

IUPACtert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide
SMILESCCC(COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1)O[Si](C)(C)C(C)(C)C.CCC(O)COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1.CN1CCOc2cc(-c3ccc4cc(O)ccc4n3)cnc21.O=S.[3H]CC(CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H37N3O3Si.C26H31N3O4.C21H23N3O3.C17H15N3O2.C9H22O2Si.OS/c1-8-21(33-34(6,7)27(2,3)4)18-32-22-10-12-23-19(15-22)9-11-24(29-23)20-16-25-26(28-17-20)30(5)13-14-31-25;1-3-20(33-25-6-4-5-12-31-25)17-32-21-8-10-22-18(14-21)7-9-23(28-22)19-15-24-26(27-16-19)29(2)11-13-30-24;1-3-16(25)13-27-17-5-7-18-14(10-17)4-6-19(23-18)15-11-20-21(22-12-15)24(2)8-9-26-20;1-20-6-7-22-16-9-12(10-18-17(16)20)15-4-2-11-8-13(21)3-5-14(11)19-15;1-8(7-10)11-12(5,6)9(2,3)4;1-2/h9-12,15-17,21H,8,13-14,18H2,1-7H3;7-10,14-16,20,25H,3-6,11-13,17H2,1-2H3;4-7,10-12,16,25H,3,8-9,13H2,1-2H3;2-5,8-10,21H,6-7H2,1H3;8,10H,7H2,1-6H3;/i;;;;1T;
InChIKeyAJSGYSIVXUSINN-CPJDLHOHSA-N
MW1828.44 g/mol
LogP19.29
Rot. Bonds24

About tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide

tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide (PubChem CID 157136769) has the molecular formula C100H128N12O15SSi2 and a molecular weight of 1828.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide
PubChem CID157136769
Molecular FormulaC100H128N12O15SSi2
Molecular Weight1828.44 g/mol
Exact Mass1826.90
IUPAC Nametert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide
SMILESCCC(COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1)O[Si](C)(C)C(C)(C)C.CCC(O)COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1.CN1CCOc2cc(-c3ccc4cc(O)ccc4n3)cnc21.O=S.[3H]CC(CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H37N3O3Si.C26H31N3O4.C21H23N3O3.C17H15N3O2.C9H22O2Si.OS/c1-8-21(33-34(6,7)27(2,3)4)18-32-22-10-12-23-19(15-22)9-11-24(29-23)20-16-25-26(28-17-20)30(5)13-14-31-25;1-3-20(33-25-6-4-5-12-31-25)17-32-21-8-10-22-18(14-21)7-9-23(28-22)19-15-24-26(27-16-19)29(2)11-13-30-24;1-3-16(25)13-27-17-5-7-18-14(10-17)4-6-19(23-18)15-11-20-21(22-12-15)24(2)8-9-26-20;1-20-6-7-22-16-9-12(10-18-17(16)20)15-4-2-11-8-13(21)3-5-14(11)19-15;1-8(7-10)11-12(5,6)9(2,3)4;1-2/h9-12,15-17,21H,8,13-14,18H2,1-7H3;7-10,14-16,20,25H,3-6,11-13,17H2,1-2H3;4-7,10-12,16,25H,3,8-9,13H2,1-2H3;2-5,8-10,21H,6-7H2,1H3;8,10H,7H2,1-6H3;/i;;;;1T;
InChIKeyAJSGYSIVXUSINN-CPJDLHOHSA-N
XLogP19.29
TPSA295.37 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001828.44
LogP ≤ 519.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide?
The IUPAC name of tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide (CID 157136769) is tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide.
What is the SMILES notation for tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide?
The canonical SMILES for tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide is CCC(COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1)OC1CCCCO1.CCC(COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1)O[Si](C)(C)C(C)(C)C.CCC(O)COc1ccc2nc(-c3cnc4c(c3)OCCN4C)ccc2c1.CN1CCOc2cc(-c3ccc4cc(O)ccc4n3)cnc21.O=S.[3H]CC(CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide?
The InChIKey is AJSGYSIVXUSINN-CPJDLHOHSA-N. The full InChI is InChI=1S/C27H37N3O3Si.C26H31N3O4.C21H23N3O3.C17H15N3O2.C9H22O2Si.OS/c1-8-21(33-34(6,7)27(2,3)4)18-32-22-10-12-23-19(15-22)9-11-24(29-23)20-16-25-26(28-17-20)30(5)13-14-31-25;1-3-20(33-25-6-4-5-12-31-25)17-32-21-8-10-22-18(14-21)7-9-23(28-22)19-15-24-26(27-16-19)29(2)11-13-30-24;1-3-16(25)13-27-17-5-7-18-14(10-17)4-6-19(23-18)15-11-20-21(22-12-15)24(2)8-9-26-20;1-20-6-7-22-16-9-12(10-18-17(16)20)15-4-2-11-8-13(21)3-5-14(11)19-15;1-8(7-10)11-12(5,6)9(2,3)4;1-2/h9-12,15-17,21H,8,13-14,18H2,1-7H3;7-10,14-16,20,25H,3-6,11-13,17H2,1-2H3;4-7,10-12,16,25H,3,8-9,13H2,1-2H3;2-5,8-10,21H,6-7H2,1H3;8,10H,7H2,1-6H3;/i;;;;1T;.
What are the key properties of tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide?
tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide has a molecular weight of 1828.44 g/mol, XLogP of 19.29, 24 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-yloxy]silane;2-[tert-butyl(dimethyl)silyl]oxy-3-tritiopropan-1-ol;2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-ol;1-[2-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)quinolin-6-yl]oxybutan-2-ol;4-methyl-7-[6-[2-(oxan-2-yloxy)butoxy]quinolin-2-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine;sulfur monoxide is sourced from PubChem (CID 157136769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).