[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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate

C131H144BBr4N17O14 — CID 158326006

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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate (PubChem CID 158326006) has the molecular formula C131H144BBr4N17O14 and a molecular weight of 2511.13 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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate
• PubChem CID: 158326006
• Molecular Formula: C131H144BBr4N17O14
• Molecular Weight: 2511.13 g/mol
• Exact Mass: 2505.79
• 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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate
• SMILES: CC(=O)OCc1c(-c2cn3ccnc3c(NC(C)(C)C)n2)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)Nc1nc(-c2cccc(-c3c[nH]c4cc(C(C)(C)C)ccc4c3=O)c2CO)cn2ccnc12.CC(C)(C)Nc1nc(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/C32H35N5O3.C30H33N5O2.C22H22BrNO3.C16H25BN4O2.C13H15NO.C9H8Br2O2.C9H6BrNO/c1-19(38)40-18-25-21(24-16-34-26-15-20(31(2,3)4)11-12-23(26)28(24)39)9-8-10-22(25)27-17-37-14-13-33-30(37)29(35-27)36-32(5,6)7;1-29(2,3)18-10-11-21-24(14-18)32-15-22(26(21)37)19-8-7-9-20(23(19)17-36)25-16-35-13-12-31-28(35)27(33-25)34-30(4,5)6;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;1-14(2,3)20-12-13-18-8-9-21(13)10-11(19-12)17-22-15(4,5)16(6,7)23-17;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/h8-17H,18H2,1-7H3,(H,34,39)(H,35,36);7-16,36H,17H2,1-6H3,(H,32,37)(H,33,34);5-11H,12H2,1-4H3,(H,24,26);8-10H,1-7H3,(H,19,20);4-8H,1-3H3,(H,14,15);2-4H,5H2,1H3;1-5H,(H,11,12)
• InChIKey: GPKKXGDNJVVVHZ-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 408.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2511.13
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate (CID 158326006) 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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate is CC(=O)OCc1c(-c2cn3ccnc3c(NC(C)(C)C)n2)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)Nc1nc(-c2cccc(-c3c[nH]c4cc(C(C)(C)C)ccc4c3=O)c2CO)cn2ccnc12.CC(C)(C)Nc1nc(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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate?

The InChIKey is GPKKXGDNJVVVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3.C30H33N5O2.C22H22BrNO3.C16H25BN4O2.C13H15NO.C9H8Br2O2.C9H6BrNO/c1-19(38)40-18-25-21(24-16-34-26-15-20(31(2,3)4)11-12-23(26)28(24)39)9-8-10-22(25)27-17-37-14-13-33-30(37)29(35-27)36-32(5,6)7;1-29(2,3)18-10-11-21-24(14-18)32-15-22(26(21)37)19-8-7-9-20(23(19)17-36)25-16-35-13-12-31-28(35)27(33-25)34-30(4,5)6;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;1-14(2,3)20-12-13-18-8-9-21(13)10-11(19-12)17-22-15(4,5)16(6,7)23-17;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/h8-17H,18H2,1-7H3,(H,34,39)(H,35,36);7-16,36H,17H2,1-6H3,(H,32,37)(H,33,34);5-11H,12H2,1-4H3,(H,24,26);8-10H,1-7H3,(H,19,20);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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate has a molecular weight of 2511.13 g/mol, XLogP of 28.33, 16 rotatable bonds, 9 hydrogen bond donors, and 26 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]pyrazin-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]pyrazin-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]pyrazin-8-amine;(2,6-dibromophenyl)methyl acetate is sourced from PubChem (CID 158326006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).