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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281011
7-[1-(diethylamino)ethoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 70413852
7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005637
5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-3-propan-2-yl-1,3-oxazolidin-2-one
CID 14281037
3-tert-butyl-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 14281039
7-(5-hydroxypentyl)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005601
ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate
CID 15005639
2-quinoxalin-6-yloxyacetate
CID 3520024
ethanol;4-[(4-fluorophenyl)methyl]-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70093461
4-(2-cyclohexylethyl)-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70092553
7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281027
ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 14981443

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).