1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C50H62N10O2 — CID 159809823

About 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 159809823) has the molecular formula C50H62N10O2 and a molecular weight of 835.11 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-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
• PubChem CID: 159809823
• Molecular Formula: C50H62N10O2
• Molecular Weight: 835.11 g/mol
• Exact Mass: 834.51
• IUPAC Name: 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
• SMILES: CCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)(C)O.CCCN(C)c1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C32H37N5O.C18H25N5O/c1-5-20-35(4)31-34-28-29(37(31)23-32(2,3)38)26-18-12-13-19-27(26)33-30(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/h6-19,38H,5,20-23H2,1-4H3;6-9,24H,5,10-11H2,1-4H3,(H2,19,20)
• InChIKey: NKWMQSWDXMGIRN-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 137.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	835.11
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 159809823) is 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

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-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCCN(C)c1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c2n1CC(C)(C)O.CCCN(C)c1nc2c(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-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The InChIKey is NKWMQSWDXMGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O.C18H25N5O/c1-5-20-35(4)31-34-28-29(37(31)23-32(2,3)38)26-18-12-13-19-27(26)33-30(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/h6-19,38H,5,20-23H2,1-4H3;6-9,24H,5,10-11H2,1-4H3,(H2,19,20).

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-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

1-[4-amino-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 835.11 g/mol, XLogP of 9.19, 15 rotatable bonds, 3 hydrogen bond donors, and 12 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-(dibenzylamino)-2-[methyl(propyl)amino]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 159809823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).