2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine

C17H17N5O2S — CID 141108814

IUPAC2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine
SMILESCCOCc1nc2cnc3cc(OCc4cscn4)ccc3c2n1N
InChIInChI=1S/C17H17N5O2S/c1-2-23-8-16-21-15-6-19-14-5-12(24-7-11-9-25-10-20-11)3-4-13(14)17(15)22(16)18/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyQFKZZQBIRHRENJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.87
Rot. Bonds6

About 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine

2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine (PubChem CID 141108814) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine
PubChem CID141108814
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine
SMILESCCOCc1nc2cnc3cc(OCc4cscn4)ccc3c2n1N
InChIInChI=1S/C17H17N5O2S/c1-2-23-8-16-21-15-6-19-14-5-12(24-7-11-9-25-10-20-11)3-4-13(14)17(15)22(16)18/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyQFKZZQBIRHRENJ-UHFFFAOYSA-N
XLogP2.87
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine?
The IUPAC name of 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine (CID 141108814) is 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine is CCOCc1nc2cnc3cc(OCc4cscn4)ccc3c2n1N.
What is the InChIKey of 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine?
The InChIKey is QFKZZQBIRHRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-23-8-16-21-15-6-19-14-5-12(24-7-11-9-25-10-20-11)3-4-13(14)17(15)22(16)18/h3-6,9-10H,2,7-8,18H2,1H3.
What are the key properties of 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine?
2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine has a molecular weight of 355.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-7-(1,3-thiazol-4-ylmethoxy)imidazo[4,5-c]quinolin-1-amine is sourced from PubChem (CID 141108814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).