2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine

C23H33N5O3S — CID 58833731

IUPAC2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
SMILESCc1nc2c(N)nc3cc(OCCC4CCN(S(C)(=O)=O)CC4)ccc3c2n1CC(C)C
InChIInChI=1S/C23H33N5O3S/c1-15(2)14-28-16(3)25-21-22(28)19-6-5-18(13-20(19)26-23(21)24)31-12-9-17-7-10-27(11-8-17)32(4,29)30/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,26)
InChIKeyPHJHZKCMDJSJGQ-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.57
Rot. Bonds7

About 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine

2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine (PubChem CID 58833731) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
PubChem CID58833731
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
SMILESCc1nc2c(N)nc3cc(OCCC4CCN(S(C)(=O)=O)CC4)ccc3c2n1CC(C)C
InChIInChI=1S/C23H33N5O3S/c1-15(2)14-28-16(3)25-21-22(28)19-6-5-18(13-20(19)26-23(21)24)31-12-9-17-7-10-27(11-8-17)32(4,29)30/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,26)
InChIKeyPHJHZKCMDJSJGQ-UHFFFAOYSA-N
XLogP3.57
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine (CID 58833731) is 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine is Cc1nc2c(N)nc3cc(OCCC4CCN(S(C)(=O)=O)CC4)ccc3c2n1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is PHJHZKCMDJSJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-15(2)14-28-16(3)25-21-22(28)19-6-5-18(13-20(19)26-23(21)24)31-12-9-17-7-10-27(11-8-17)32(4,29)30/h5-6,13,15,17H,7-12,14H2,1-4H3,(H2,24,26).
What are the key properties of 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine?
2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 459.62 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfonylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58833731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).