1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C17H21ClN4O2 — CID 10089136

IUPAC1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C17H21ClN4O2/c1-4-24-8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20)
InChIKeyASQUILZWUACGIO-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 10089136) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID10089136
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C17H21ClN4O2/c1-4-24-8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20)
InChIKeyASQUILZWUACGIO-UHFFFAOYSA-N
XLogP3.13
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 10089136) is 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is ASQUILZWUACGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-4-24-8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20).
What are the key properties of 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 348.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 10089136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).