4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate

C113H122BrIN18O16 — CID 158055089

About 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate

4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate (PubChem CID 158055089) has the molecular formula C113H122BrIN18O16 and a molecular weight of 2195.14 g/mol. Its IUPAC name is 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate.

Molecular Properties

• Compound Name: 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate
• PubChem CID: 158055089
• Molecular Formula: C113H122BrIN18O16
• Molecular Weight: 2195.14 g/mol
• Exact Mass: 2192.75
• IUPAC Name: 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CBr)c1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CCC(=O)ON2C(=O)CCC2=O)c1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CCCC(=O)ON2C(=O)CCC2=O)c1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CI)c1
• InChI: InChI=1S/C32H35N5O6.C31H33N5O6.C25H27BrN4O2.C25H27IN4O2/c1-2-3-10-26-35-30-31(23-8-4-5-9-24(23)34-32(30)33)36(26)19-20-12-15-25(39)21(18-20)13-14-22(38)7-6-11-29(42)43-37-27(40)16-17-28(37)41;1-2-3-8-25-34-29-30(22-6-4-5-7-23(22)33-31(29)32)35(25)18-19-9-13-24(38)20(17-19)10-11-21(37)12-16-28(41)42-36-26(39)14-15-27(36)40;2*1-2-3-8-22-29-23-24(19-6-4-5-7-20(19)28-25(23)27)30(22)15-16-9-12-21(32)17(13-16)10-11-18(31)14-26/h4-5,8-9,12,15,18,39H,2-3,6-7,10-11,13-14,16-17,19H2,1H3,(H2,33,34);4-7,9,13,17,38H,2-3,8,10-12,14-16,18H2,1H3,(H2,32,33);2*4-7,9,12-13,32H,2-3,8,10-11,14-15H2,1H3,(H2,27,28)
• InChIKey: FJYJLTMAUVXCFT-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 503.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.14
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate?

The IUPAC name of 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate (CID 158055089) is 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate.

What is the SMILES notation for 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate?

The canonical SMILES for 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CBr)c1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CCC(=O)ON2C(=O)CCC2=O)c1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CCCC(=O)ON2C(=O)CCC2=O)c1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CCC(=O)CI)c1.

What is the InChIKey of 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate?

The InChIKey is FJYJLTMAUVXCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O6.C31H33N5O6.C25H27BrN4O2.C25H27IN4O2/c1-2-3-10-26-35-30-31(23-8-4-5-9-24(23)34-32(30)33)36(26)19-20-12-15-25(39)21(18-20)13-14-22(38)7-6-11-29(42)43-37-27(40)16-17-28(37)41;1-2-3-8-25-34-29-30(22-6-4-5-7-23(22)33-31(29)32)35(25)18-19-9-13-24(38)20(17-19)10-11-21(37)12-16-28(41)42-36-26(39)14-15-27(36)40;2*1-2-3-8-22-29-23-24(19-6-4-5-7-20(19)28-25(23)27)30(22)15-16-9-12-21(32)17(13-16)10-11-18(31)14-26/h4-5,8-9,12,15,18,39H,2-3,6-7,10-11,13-14,16-17,19H2,1H3,(H2,33,34);4-7,9,13,17,38H,2-3,8,10-12,14-16,18H2,1H3,(H2,32,33);2*4-7,9,12-13,32H,2-3,8,10-11,14-15H2,1H3,(H2,27,28).

What are the key properties of 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate?

4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate has a molecular weight of 2195.14 g/mol, XLogP of 19.05, 43 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one;4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-iodobutan-2-one;(2,5-dioxopyrrolidin-1-yl) 7-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-4-oxohexanoate is sourced from PubChem (CID 158055089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).