methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate

C17H20N4O3 — CID 71292284

IUPACmethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)c1nc(C)n(CC(C)(C)O)c12
InChIInChI=1S/C17H20N4O3/c1-9-19-13-14(21(9)8-17(2,3)23)11-6-5-10(16(22)24-4)7-12(11)20-15(13)18/h5-7,23H,8H2,1-4H3,(H2,18,20)
InChIKeyWMYKXORUYKRBKG-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.03
Rot. Bonds3

About methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71292284) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71292284
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(N)c1nc(C)n(CC(C)(C)O)c12
InChIInChI=1S/C17H20N4O3/c1-9-19-13-14(21(9)8-17(2,3)23)11-6-5-10(16(22)24-4)7-12(11)20-15(13)18/h5-7,23H,8H2,1-4H3,(H2,18,20)
InChIKeyWMYKXORUYKRBKG-UHFFFAOYSA-N
XLogP2.03
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate (CID 71292284) is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate is COC(=O)c1ccc2c(c1)nc(N)c1nc(C)n(CC(C)(C)O)c12.
What is the InChIKey of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is WMYKXORUYKRBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-9-19-13-14(21(9)8-17(2,3)23)11-6-5-10(16(22)24-4)7-12(11)20-15(13)18/h5-7,23H,8H2,1-4H3,(H2,18,20).
What are the key properties of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-methylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71292284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).