ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate

C18H20N2O4 — CID 122250271

IUPACethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate
SMILESCCOC(=O)CCC(=O)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)10-9-17(21)20-11-14(12-20)24-16-8-7-13-5-3-4-6-15(13)19-16/h3-8,14H,2,9-12H2,1H3
InChIKeyAGKOGPGCHZGGST-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.17
Rot. Bonds6

About ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate

ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate (PubChem CID 122250271) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate
PubChem CID122250271
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate
SMILESCCOC(=O)CCC(=O)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)10-9-17(21)20-11-14(12-20)24-16-8-7-13-5-3-4-6-15(13)19-16/h3-8,14H,2,9-12H2,1H3
InChIKeyAGKOGPGCHZGGST-UHFFFAOYSA-N
XLogP2.17
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
3-phenylsulfanyl-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250433
(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250544
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-quinolin-2-yloxypyrrolidin-1-yl)propan-1-one
CID 91815868
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
1,3-dimethyl-7-[2-oxo-2-(3-quinolin-2-yloxyazetidin-1-yl)ethyl]purine-2,6-dione
CID 122250416
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate?
The IUPAC name of ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate (CID 122250271) is ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate?
The canonical SMILES for ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate is CCOC(=O)CCC(=O)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate?
The InChIKey is AGKOGPGCHZGGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-18(22)10-9-17(21)20-11-14(12-20)24-16-8-7-13-5-3-4-6-15(13)19-16/h3-8,14H,2,9-12H2,1H3.
What are the key properties of ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate?
ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate has a molecular weight of 328.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate is sourced from PubChem (CID 122250271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).