2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C100H101BBr2N4O17S4 — CID 160750358

About 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 160750358) has the molecular formula C100H101BBr2N4O17S4 and a molecular weight of 1929.81 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 160750358
• Molecular Formula: C100H101BBr2N4O17S4
• Molecular Weight: 1929.81 g/mol
• Exact Mass: 1926.45
• IUPAC Name: 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: CC(C)(C)OC(C(=O)O)c1sc2ccc3ncccc3c2c1-c1ccc2c(c1)CCCO2.CC1(C)OB(c2ccc3c(c2)CCCO3)OC1(C)C.COC(=O)C(O)c1sc2ccc3ncccc3c2c1Br.COC(=O)C(OC(C)(C)C)c1sc2ccc3ncccc3c2c1-c1ccc2c(c1)CCCO2.COC(=O)C(OC(C)(C)C)c1sc2ccc3ncccc3c2c1Br
• InChI: InChI=1S/C27H27NO4S.C26H25NO4S.C18H18BrNO3S.C15H21BO3.C14H10BrNO3S/c1-27(2,3)32-24(26(29)30-4)25-22(17-9-11-20-16(15-17)7-6-14-31-20)23-18-8-5-13-28-19(18)10-12-21(23)33-25;1-26(2,3)31-23(25(28)29)24-21(16-8-10-19-15(14-16)6-5-13-30-19)22-17-7-4-12-27-18(17)9-11-20(22)32-24;1-18(2,3)23-15(17(21)22-4)16-14(19)13-10-6-5-9-20-11(10)7-8-12(13)24-16;1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13;1-19-14(18)12(17)13-11(15)10-7-3-2-6-16-8(7)4-5-9(10)20-13/h5,8-13,15,24H,6-7,14H2,1-4H3;4,7-12,14,23H,5-6,13H2,1-3H3,(H,28,29);5-9,15H,1-4H3;7-8,10H,5-6,9H2,1-4H3;2-6,12,17H,1H3
• InChIKey: RWSSOZCRJOVFOJ-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 261.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.81
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 160750358) is 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is CC(C)(C)OC(C(=O)O)c1sc2ccc3ncccc3c2c1-c1ccc2c(c1)CCCO2.CC1(C)OB(c2ccc3c(c2)CCCO3)OC1(C)C.COC(=O)C(O)c1sc2ccc3ncccc3c2c1Br.COC(=O)C(OC(C)(C)C)c1sc2ccc3ncccc3c2c1-c1ccc2c(c1)CCCO2.COC(=O)C(OC(C)(C)C)c1sc2ccc3ncccc3c2c1Br.

What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The InChIKey is RWSSOZCRJOVFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4S.C26H25NO4S.C18H18BrNO3S.C15H21BO3.C14H10BrNO3S/c1-27(2,3)32-24(26(29)30-4)25-22(17-9-11-20-16(15-17)7-6-14-31-20)23-18-8-5-13-28-19(18)10-12-21(23)33-25;1-26(2,3)31-23(25(28)29)24-21(16-8-10-19-15(14-16)6-5-13-30-19)22-17-7-4-12-27-18(17)9-11-20(22)32-24;1-18(2,3)23-15(17(21)22-4)16-14(19)13-10-6-5-9-20-11(10)7-8-12(13)24-16;1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13;1-19-14(18)12(17)13-11(15)10-7-3-2-6-16-8(7)4-5-9(10)20-13/h5,8-13,15,24H,6-7,14H2,1-4H3;4,7-12,14,23H,5-6,13H2,1-3H3,(H,28,29);5-9,15H,1-4H3;7-8,10H,5-6,9H2,1-4H3;2-6,12,17H,1H3.

What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 1929.81 g/mol, XLogP of 23.82, 14 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-hydroxyacetate;methyl 2-(1-bromothieno[3,2-f]quinolin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-(3,4-dihydro-2H-chromen-6-yl)thieno[3,2-f]quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 160750358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).