[2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate

C134H147BBr4N14O14 — CID 160897929

About [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate

[2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate (PubChem CID 160897929) has the molecular formula C134H147BBr4N14O14 and a molecular weight of 2508.16 g/mol. Its IUPAC name is [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate.

Molecular Properties

• Compound Name: [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate
• PubChem CID: 160897929
• Molecular Formula: C134H147BBr4N14O14
• Molecular Weight: 2508.16 g/mol
• Exact Mass: 2502.80
• IUPAC Name: [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate
• SMILES: CC(=O)OCc1c(-c2cc(NC(C)(C)C)c3nccn3c2)cccc1-c1c[nH]c2cc(C(C)(C)C)ccc2c1=O.CC(=O)OCc1c(Br)cccc1-c1c[nH]c2cc(C(C)(C)C)ccc2c1=O.CC(=O)OCc1c(Br)cccc1Br.CC(C)(C)Nc1cc(-c2cccc(-c3c[nH]c4cc(C(C)(C)C)ccc4c3=O)c2CO)cn2ccnc12.CC(C)(C)Nc1cc(B2OC(C)(C)C(C)(C)O2)cn2ccnc12.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.O=c1cc[nH]c2cc(Br)ccc12
• InChI: InChI=1S/C33H36N4O3.C31H34N4O2.C22H22BrNO3.C17H26BN3O2.C13H15NO.C9H8Br2O2.C9H6BrNO/c1-20(38)40-19-27-23(21-15-29(36-33(5,6)7)31-34-13-14-37(31)18-21)9-8-10-24(27)26-17-35-28-16-22(32(2,3)4)11-12-25(28)30(26)39;1-30(2,3)20-10-11-23-26(15-20)33-16-24(28(23)37)22-9-7-8-21(25(22)18-36)19-14-27(34-31(4,5)6)29-32-12-13-35(29)17-19;1-13(25)27-12-18-15(6-5-7-19(18)23)17-11-24-20-10-14(22(2,3)4)8-9-16(20)21(17)26;1-15(2,3)20-13-10-12(11-21-9-8-19-14(13)21)18-22-16(4,5)17(6,7)23-18;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-6(12)13-5-7-8(10)3-2-4-9(7)11;10-6-1-2-7-8(5-6)11-4-3-9(7)12/h8-18,36H,19H2,1-7H3,(H,35,39);7-17,34,36H,18H2,1-6H3,(H,33,37);5-11H,12H2,1-4H3,(H,24,26);8-11,20H,1-7H3;4-8H,1-3H3,(H,14,15);2-4H,5H2,1H3;1-5H,(H,11,12)
• InChIKey: SPCSVUZHXIQFLK-UHFFFAOYSA-N
• XLogP: 30.14
• TPSA: 369.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.16
LogP ≤ 5	30.14
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

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-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate?

The IUPAC name of [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate (CID 160897929) is [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate.

What is the SMILES notation for [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate?

The canonical SMILES for [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate is CC(=O)OCc1c(-c2cc(NC(C)(C)C)c3nccn3c2)cccc1-c1c[nH]c2cc(C(C)(C)C)ccc2c1=O.CC(=O)OCc1c(Br)cccc1-c1c[nH]c2cc(C(C)(C)C)ccc2c1=O.CC(=O)OCc1c(Br)cccc1Br.CC(C)(C)Nc1cc(-c2cccc(-c3c[nH]c4cc(C(C)(C)C)ccc4c3=O)c2CO)cn2ccnc12.CC(C)(C)Nc1cc(B2OC(C)(C)C(C)(C)O2)cn2ccnc12.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.O=c1cc[nH]c2cc(Br)ccc12.

What is the InChIKey of [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate?

The InChIKey is SPCSVUZHXIQFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O3.C31H34N4O2.C22H22BrNO3.C17H26BN3O2.C13H15NO.C9H8Br2O2.C9H6BrNO/c1-20(38)40-19-27-23(21-15-29(36-33(5,6)7)31-34-13-14-37(31)18-21)9-8-10-24(27)26-17-35-28-16-22(32(2,3)4)11-12-25(28)30(26)39;1-30(2,3)20-10-11-23-26(15-20)33-16-24(28(23)37)22-9-7-8-21(25(22)18-36)19-14-27(34-31(4,5)6)29-32-12-13-35(29)17-19;1-13(25)27-12-18-15(6-5-7-19(18)23)17-11-24-20-10-14(22(2,3)4)8-9-16(20)21(17)26;1-15(2,3)20-13-10-12(11-21-9-8-19-14(13)21)18-22-16(4,5)17(6,7)23-18;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;1-6(12)13-5-7-8(10)3-2-4-9(7)11;10-6-1-2-7-8(5-6)11-4-3-9(7)12/h8-18,36H,19H2,1-7H3,(H,35,39);7-17,34,36H,18H2,1-6H3,(H,33,37);5-11H,12H2,1-4H3,(H,24,26);8-11,20H,1-7H3;4-8H,1-3H3,(H,14,15);2-4H,5H2,1H3;1-5H,(H,11,12).

What are the key properties of [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate?

[2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate has a molecular weight of 2508.16 g/mol, XLogP of 30.14, 16 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [2-bromo-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-bromo-1H-quinolin-4-one;[2-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-6-(7-tert-butyl-4-oxo-1H-quinolin-3-yl)phenyl]methyl acetate;7-tert-butyl-3-[3-[8-(tert-butylamino)imidazo[1,2-a]pyridin-6-yl]-2-(hydroxymethyl)phenyl]-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;N-tert-butyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine;(2,6-dibromophenyl)methyl acetate is sourced from PubChem (CID 160897929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).