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

C20H23N5OS — CID 146561410

IUPAC2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol
SMILESCCN(C)Cc1nc2c(N)nc3cc(-c4cccs4)ccc3c2n1CCO
InChIInChI=1S/C20H23N5OS/c1-3-24(2)12-17-23-18-19(25(17)8-9-26)14-7-6-13(16-5-4-10-27-16)11-15(14)22-20(18)21/h4-7,10-11,26H,3,8-9,12H2,1-2H3,(H2,21,22)
InChIKeyQPVWCRIDNXOFMW-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.34
Rot. Bonds6

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

2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol (PubChem CID 146561410) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol
PubChem CID146561410
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol
SMILESCCN(C)Cc1nc2c(N)nc3cc(-c4cccs4)ccc3c2n1CCO
InChIInChI=1S/C20H23N5OS/c1-3-24(2)12-17-23-18-19(25(17)8-9-26)14-7-6-13(16-5-4-10-27-16)11-15(14)22-20(18)21/h4-7,10-11,26H,3,8-9,12H2,1-2H3,(H2,21,22)
InChIKeyQPVWCRIDNXOFMW-UHFFFAOYSA-N
XLogP3.34
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol?
The IUPAC name of 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol (CID 146561410) is 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol.
What is the SMILES notation for 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol?
The canonical SMILES for 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol is CCN(C)Cc1nc2c(N)nc3cc(-c4cccs4)ccc3c2n1CCO.
What is the InChIKey of 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol?
The InChIKey is QPVWCRIDNXOFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-3-24(2)12-17-23-18-19(25(17)8-9-26)14-7-6-13(16-5-4-10-27-16)11-15(14)22-20(18)21/h4-7,10-11,26H,3,8-9,12H2,1-2H3,(H2,21,22).
What are the key properties of 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol?
2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol has a molecular weight of 381.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[[ethyl(methyl)amino]methyl]-7-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl]ethanol is sourced from PubChem (CID 146561410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).