[1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate

C17H19N3O2 — CID 70024749

IUPAC[1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate
SMILESCC(=O)OC(CC(C)C)c1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C17H19N3O2/c1-10(2)8-15(22-11(3)21)17-19-14-9-18-13-7-5-4-6-12(13)16(14)20-17/h4-7,9-10,15H,8H2,1-3H3,(H,19,20)
InChIKeyVIXVKFRCHKSFAW-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.76
Rot. Bonds4

About [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate

[1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate (PubChem CID 70024749) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate.

Molecular Properties

Compound Name[1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate
PubChem CID70024749
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate
SMILESCC(=O)OC(CC(C)C)c1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C17H19N3O2/c1-10(2)8-15(22-11(3)21)17-19-14-9-18-13-7-5-4-6-12(13)16(14)20-17/h4-7,9-10,15H,8H2,1-3H3,(H,19,20)
InChIKeyVIXVKFRCHKSFAW-UHFFFAOYSA-N
XLogP3.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate?
The IUPAC name of [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate (CID 70024749) is [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate.
What is the SMILES notation for [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate?
The canonical SMILES for [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate is CC(=O)OC(CC(C)C)c1nc2c(cnc3ccccc32)[nH]1.
What is the InChIKey of [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate?
The InChIKey is VIXVKFRCHKSFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)8-15(22-11(3)21)17-19-14-9-18-13-7-5-4-6-12(13)16(14)20-17/h4-7,9-10,15H,8H2,1-3H3,(H,19,20).
What are the key properties of [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate?
[1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate has a molecular weight of 297.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3H-imidazo[4,5-c]quinolin-2-yl)-3-methylbutyl] acetate is sourced from PubChem (CID 70024749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).