2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate

C88H103N20O17P3 — CID 161113391

About 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate

2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate (PubChem CID 161113391) has the molecular formula C88H103N20O17P3 and a molecular weight of 1805.84 g/mol. Its IUPAC name is 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate.

Molecular Properties

• Compound Name: 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate
• PubChem CID: 161113391
• Molecular Formula: C88H103N20O17P3
• Molecular Weight: 1805.84 g/mol
• Exact Mass: 1804.70
• IUPAC Name: 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate
• SMILES: CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cc(O)ccc1O.CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cc(OP(=O)(O)O)ccc1O.CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cccc(O)c1OP(=O)(O)O.CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cccc(OP(=O)(O)O)c1O
• InChI: InChI=1S/3C22H26N5O5P.C22H25N5O2/c1-2-3-7-18-26-19-20(15-9-8-13(11-23)10-16(15)25-22(19)24)27(18)12-14-5-4-6-17(21(14)28)32-33(29,30)31;1-2-3-7-18-26-19-20(15-9-8-13(11-23)10-16(15)25-22(19)24)27(18)12-14-5-4-6-17(28)21(14)32-33(29,30)31;1-2-3-4-19-26-20-21(16-7-5-13(11-23)9-17(16)25-22(20)24)27(19)12-14-10-15(6-8-18(14)28)32-33(29,30)31;1-2-3-4-19-26-20-21(27(19)12-14-10-15(28)6-8-18(14)29)16-7-5-13(11-23)9-17(16)25-22(20)24/h2*4-6,8-10,28H,2-3,7,11-12,23H2,1H3,(H2,24,25)(H2,29,30,31);5-10,28H,2-4,11-12,23H2,1H3,(H2,24,25)(H2,29,30,31);5-10,28-29H,2-4,11-12,23H2,1H3,(H2,24,25)
• InChIKey: UJZLNFWTSVKZCI-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 632.43 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1805.84
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate?

The IUPAC name of 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate (CID 161113391) is 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate.

What is the SMILES notation for 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate?

The canonical SMILES for 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate is CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cc(O)ccc1O.CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cc(OP(=O)(O)O)ccc1O.CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cccc(O)c1OP(=O)(O)O.CCCCc1nc2c(N)nc3cc(CN)ccc3c2n1Cc1cccc(OP(=O)(O)O)c1O.

What is the InChIKey of 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate?

The InChIKey is UJZLNFWTSVKZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H26N5O5P.C22H25N5O2/c1-2-3-7-18-26-19-20(15-9-8-13(11-23)10-16(15)25-22(19)24)27(18)12-14-5-4-6-17(21(14)28)32-33(29,30)31;1-2-3-7-18-26-19-20(15-9-8-13(11-23)10-16(15)25-22(19)24)27(18)12-14-5-4-6-17(28)21(14)32-33(29,30)31;1-2-3-4-19-26-20-21(16-7-5-13(11-23)9-17(16)25-22(20)24)27(19)12-14-10-15(6-8-18(14)28)32-33(29,30)31;1-2-3-4-19-26-20-21(27(19)12-14-10-15(28)6-8-18(14)29)16-7-5-13(11-23)9-17(16)25-22(20)24/h2*4-6,8-10,28H,2-3,7,11-12,23H2,1H3,(H2,24,25)(H2,29,30,31);5-10,28H,2-4,11-12,23H2,1H3,(H2,24,25)(H2,29,30,31);5-10,28-29H,2-4,11-12,23H2,1H3,(H2,24,25).

What are the key properties of 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate?

2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate has a molecular weight of 1805.84 g/mol, XLogP of 13.01, 30 rotatable bonds, 19 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol;[2-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-6-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-2-hydroxyphenyl] dihydrogen phosphate;[3-[[4-amino-7-(aminomethyl)-2-butylimidazo[4,5-c]quinolin-1-yl]methyl]-4-hydroxyphenyl] dihydrogen phosphate is sourced from PubChem (CID 161113391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).