1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine

C20H23N5S — CID 146561636

IUPAC1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine
SMILESCCN(C)Cc1nc2c(N)nc3cc(-c4cccs4)ccc3c2n1CC
InChIInChI=1S/C20H23N5S/c1-4-24(3)12-17-23-18-19(25(17)5-2)14-9-8-13(16-7-6-10-26-16)11-15(14)22-20(18)21/h6-11H,4-5,12H2,1-3H3,(H2,21,22)
InChIKeyBDPIJOSJJFKLPA-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.37
Rot. Bonds5

About 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine

1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine (PubChem CID 146561636) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine
PubChem CID146561636
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine
SMILESCCN(C)Cc1nc2c(N)nc3cc(-c4cccs4)ccc3c2n1CC
InChIInChI=1S/C20H23N5S/c1-4-24(3)12-17-23-18-19(25(17)5-2)14-9-8-13(16-7-6-10-26-16)11-15(14)22-20(18)21/h6-11H,4-5,12H2,1-3H3,(H2,21,22)
InChIKeyBDPIJOSJJFKLPA-UHFFFAOYSA-N
XLogP4.37
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine (CID 146561636) is 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine is CCN(C)Cc1nc2c(N)nc3cc(-c4cccs4)ccc3c2n1CC.
What is the InChIKey of 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is BDPIJOSJJFKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-4-24(3)12-17-23-18-19(25(17)5-2)14-9-8-13(16-7-6-10-26-16)11-15(14)22-20(18)21/h6-11H,4-5,12H2,1-3H3,(H2,21,22).
What are the key properties of 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine?
1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 365.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 146561636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).