2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate

C12H8N3O4- — CID 21289996

IUPAC2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate
SMILESO=C([O-])COc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
InChIInChI=1S/C12H9N3O4/c16-10(17)5-19-7-1-2-8-6(3-7)4-9-11(13-8)15-12(18)14-9/h1-4H,5H2,(H,16,17)(H2,13,14,15,18)/p-1
InChIKeyANBLGOPBKUCVNY-UHFFFAOYSA-M
MW258.21 g/mol
LogP-0.47
Rot. Bonds3

About 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate

2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate (PubChem CID 21289996) has the molecular formula C12H8N3O4- and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate
PubChem CID21289996
Molecular FormulaC12H8N3O4-
Molecular Weight258.21 g/mol
Exact Mass258.05
IUPAC Name2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate
SMILESO=C([O-])COc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
InChIInChI=1S/C12H9N3O4/c16-10(17)5-19-7-1-2-8-6(3-7)4-9-11(13-8)15-12(18)14-9/h1-4H,5H2,(H,16,17)(H2,13,14,15,18)/p-1
InChIKeyANBLGOPBKUCVNY-UHFFFAOYSA-M
XLogP-0.47
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate?
The IUPAC name of 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate (CID 21289996) is 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate is O=C([O-])COc1ccc2nc3[nH]c(=O)[nH]c3cc2c1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate?
The InChIKey is ANBLGOPBKUCVNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9N3O4/c16-10(17)5-19-7-1-2-8-6(3-7)4-9-11(13-8)15-12(18)14-9/h1-4H,5H2,(H,16,17)(H2,13,14,15,18)/p-1.
What are the key properties of 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate?
2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate has a molecular weight of 258.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate is sourced from PubChem (CID 21289996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).