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

C22H27N5O5 — CID 15005639

IUPACethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C22H27N5O5/c1-2-31-20(29)14-26-7-9-27(10-8-26)19(28)4-3-11-32-16-5-6-17-15(12-16)13-18-21(23-17)25-22(30)24-18/h5-6,12-13H,2-4,7-11,14H2,1H3,(H2,23,24,25,30)
InChIKeyWPDWXTWQPSXKDE-UHFFFAOYSA-N
MW441.49 g/mol
LogP1.27
Rot. Bonds8

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

ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate (PubChem CID 15005639) has the molecular formula C22H27N5O5 and a molecular weight of 441.49 g/mol. Its IUPAC name is ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate
PubChem CID15005639
Molecular FormulaC22H27N5O5
Molecular Weight441.49 g/mol
Exact Mass441.20
IUPAC Nameethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1
InChIInChI=1S/C22H27N5O5/c1-2-31-20(29)14-26-7-9-27(10-8-26)19(28)4-3-11-32-16-5-6-17-15(12-16)13-18-21(23-17)25-22(30)24-18/h5-6,12-13H,2-4,7-11,14H2,1H3,(H2,23,24,25,30)
InChIKeyWPDWXTWQPSXKDE-UHFFFAOYSA-N
XLogP1.27
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281011
7-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005637
7-[4-oxo-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 15005625
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
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
2-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]acetate
CID 21289996
4-(2-cyclohexylethyl)-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]piperazine-1-carboxamide;dihydrochloride
CID 70092553
ethyl 5-[(2-oxo-1,3-dihydropyrrolo[2,3-b]quinolin-6-yl)oxy]pentanoate
CID 19975660
7-[1-(diethylamino)ethoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 70413852
7-[[2-[4-(cyclohexylmethyl)piperazin-1-yl]-2-oxoethoxy]iminomethyl]-1,3-dihydroimidazo[4,5-b]quinolin-2-one;hydrate
CID 173331434
6-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55595558
7-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 14281027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate (CID 15005639) is ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1.
What is the InChIKey of ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate?
The InChIKey is WPDWXTWQPSXKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O5/c1-2-31-20(29)14-26-7-9-27(10-8-26)19(28)4-3-11-32-16-5-6-17-15(12-16)13-18-21(23-17)25-22(30)24-18/h5-6,12-13H,2-4,7-11,14H2,1H3,(H2,23,24,25,30).
What are the key properties of ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate?
ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate has a molecular weight of 441.49 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]piperazin-1-yl]acetate is sourced from PubChem (CID 15005639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).