(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate

C128H144N20O38P4 — CID 160774969

About (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate

(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate (PubChem CID 160774969) has the molecular formula C128H144N20O38P4 and a molecular weight of 2694.56 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate
• PubChem CID: 160774969
• Molecular Formula: C128H144N20O38P4
• Molecular Weight: 2694.56 g/mol
• Exact Mass: 2692.89
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate
• SMILES: CCCCc1nc2c(N)nc3ccc(CCC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1cc(O)ccc1OP(=O)(O)O.CCCCc1nc2c(N)nc3ccc(CCC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1cc(OP(=O)(O)O)ccc1OP(=O)(O)O.CCCCc1nc2c(N)nc3ccc(CCC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(O)c(C)c1.CCCCc1nc2c(N)nc3ccc(CCC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(OP(=O)(O)O)c(C)c1
• InChI: InChI=1S/C33H38N5O9P.C33H37N5O6.C31H35N5O13P2.C31H34N5O10P/c1-3-4-7-27-36-31-32(37(27)19-22-11-14-26(20(2)17-22)47-48(43,44)45)24-18-21(10-13-25(24)35-33(31)34)9-12-23(39)6-5-8-30(42)46-38-28(40)15-16-29(38)41;1-3-4-7-27-36-31-32(37(27)19-22-11-14-26(40)20(2)17-22)24-18-21(10-13-25(24)35-33(31)34)9-12-23(39)6-5-8-30(43)44-38-28(41)15-16-29(38)42;1-2-3-4-25-34-29-30(35(25)17-19-16-21(48-50(41,42)43)9-11-24(19)49-51(44,45)46)22-15-18(6-10-23(22)33-31(29)32)5-7-20(37)8-14-28(40)47-36-26(38)12-13-27(36)39;1-2-3-4-25-34-29-30(35(25)17-19-16-21(38)8-11-24(19)46-47(42,43)44)22-15-18(6-10-23(22)33-31(29)32)5-7-20(37)9-14-28(41)45-36-26(39)12-13-27(36)40/h10-11,13-14,17-18H,3-9,12,15-16,19H2,1-2H3,(H2,34,35)(H2,43,44,45);10-11,13-14,17-18,40H,3-9,12,15-16,19H2,1-2H3,(H2,34,35);6,9-11,15-16H,2-5,7-8,12-14,17H2,1H3,(H2,32,33)(H2,41,42,43)(H2,44,45,46);6,8,10-11,15-16,38H,2-5,7,9,12-14,17H2,1H3,(H2,32,33)(H2,42,43,44)
• InChIKey: RZVATMGDIUDTNH-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 857.42 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 58
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2694.56
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate (CID 160774969) is (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate is CCCCc1nc2c(N)nc3ccc(CCC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1cc(O)ccc1OP(=O)(O)O.CCCCc1nc2c(N)nc3ccc(CCC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1cc(OP(=O)(O)O)ccc1OP(=O)(O)O.CCCCc1nc2c(N)nc3ccc(CCC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(O)c(C)c1.CCCCc1nc2c(N)nc3ccc(CCC(=O)CCCC(=O)ON4C(=O)CCC4=O)cc3c2n1Cc1ccc(OP(=O)(O)O)c(C)c1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate?

The InChIKey is RZVATMGDIUDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N5O9P.C33H37N5O6.C31H35N5O13P2.C31H34N5O10P/c1-3-4-7-27-36-31-32(37(27)19-22-11-14-26(20(2)17-22)47-48(43,44)45)24-18-21(10-13-25(24)35-33(31)34)9-12-23(39)6-5-8-30(42)46-38-28(40)15-16-29(38)41;1-3-4-7-27-36-31-32(37(27)19-22-11-14-26(40)20(2)17-22)24-18-21(10-13-25(24)35-33(31)34)9-12-23(39)6-5-8-30(43)44-38-28(41)15-16-29(38)42;1-2-3-4-25-34-29-30(35(25)17-19-16-21(48-50(41,42)43)9-11-24(19)49-51(44,45)46)22-15-18(6-10-23(22)33-31(29)32)5-7-20(37)8-14-28(40)47-36-26(38)12-13-27(36)39;1-2-3-4-25-34-29-30(35(25)17-19-16-21(38)8-11-24(19)46-47(42,43)44)22-15-18(6-10-23(22)33-31(29)32)5-7-20(37)9-14-28(41)45-36-26(39)12-13-27(36)40/h10-11,13-14,17-18H,3-9,12,15-16,19H2,1-2H3,(H2,34,35)(H2,43,44,45);10-11,13-14,17-18,40H,3-9,12,15-16,19H2,1-2H3,(H2,34,35);6,9-11,15-16H,2-5,7-8,12-14,17H2,1H3,(H2,32,33)(H2,41,42,43)(H2,44,45,46);6,8,10-11,15-16,38H,2-5,7,9,12-14,17H2,1H3,(H2,32,33)(H2,42,43,44).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate?

(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate has a molecular weight of 2694.56 g/mol, XLogP of 16.48, 58 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(2,5-diphosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate;(2,5-dioxopyrrolidin-1-yl) 6-[4-amino-2-butyl-1-[(5-hydroxy-2-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-4-oxohexanoate;(2,5-dioxopyrrolidin-1-yl) 7-[4-amino-2-butyl-1-[(3-methyl-4-phosphonooxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]-5-oxoheptanoate is sourced from PubChem (CID 160774969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).