1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine

C67H85N15O3 — CID 87406415

About 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine

1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine (PubChem CID 87406415) has the molecular formula C67H85N15O3 and a molecular weight of 1148.52 g/mol. Its IUPAC name is 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine.

Molecular Properties

• Compound Name: 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
• PubChem CID: 87406415
• Molecular Formula: C67H85N15O3
• Molecular Weight: 1148.52 g/mol
• Exact Mass: 1147.70
• IUPAC Name: 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine
• SMILES: CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)(C)OC.CCCNc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C32H37N5O.C18H25N5O.C17H23N5O/c1-5-20-33-31-35-28-29(37(31)23-32(2,3)38-4)26-18-12-13-19-27(26)34-30(28)36(21-24-14-8-6-9-15-24)22-25-16-10-7-11-17-25;1-5-10-22(4)17-21-14-15(23(17)11-18(2,3)24)12-8-6-7-9-13(12)20-16(14)19;1-4-9-19-16-21-13-14(22(16)10-17(2,3)23)11-7-5-6-8-12(11)20-15(13)18/h6-19H,5,20-23H2,1-4H3,(H,33,35);6-9,24H,5,10-11H2,1-4H3,(H2,19,20);5-8,23H,4,9-10H2,1-3H3,(H2,18,20)(H,19,21)
• InChIKey: KBEFNJMQMPLPPR-UHFFFAOYSA-N
• XLogP: 12.58
• TPSA: 224.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1148.52
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

The IUPAC name of 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine (CID 87406415) is 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine.

What is the SMILES notation for 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

The canonical SMILES for 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine is CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCCNc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)(C)OC.CCCNc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.

What is the InChIKey of 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

The InChIKey is KBEFNJMQMPLPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O.C18H25N5O.C17H23N5O/c1-5-20-33-31-35-28-29(37(31)23-32(2,3)38-4)26-18-12-13-19-27(26)34-30(28)36(21-24-14-8-6-9-15-24)22-25-16-10-7-11-17-25;1-5-10-22(4)17-21-14-15(23(17)11-18(2,3)24)12-8-6-7-9-13(12)20-16(14)19;1-4-9-19-16-21-13-14(22(16)10-17(2,3)23)11-7-5-6-8-12(11)20-15(13)18/h6-19H,5,20-23H2,1-4H3,(H,33,35);6-9,24H,5,10-11H2,1-4H3,(H2,19,20);5-8,23H,4,9-10H2,1-3H3,(H2,18,20)(H,19,21).

What are the key properties of 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine?

1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine has a molecular weight of 1148.52 g/mol, XLogP of 12.58, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-2-(propylamino)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;4-N,4-N-dibenzyl-1-(2-methoxy-2-methylpropyl)-2-N-propylimidazo[4,5-c]quinoline-2,4-diamine is sourced from PubChem (CID 87406415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).