2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate

C14H12ClNO4 — CID 157094840

IUPAC2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate
SMILESCC(=O)COC(=O)COc1ccc2c(Cl)cccc2n1
InChIInChI=1S/C14H12ClNO4/c1-9(17)7-20-14(18)8-19-13-6-5-10-11(15)3-2-4-12(10)16-13/h2-6H,7-8H2,1H3
InChIKeyAFBWARYHPMWFQV-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.40
Rot. Bonds5

About 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate

2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate (PubChem CID 157094840) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate.

Molecular Properties

Compound Name2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate
PubChem CID157094840
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate
SMILESCC(=O)COC(=O)COc1ccc2c(Cl)cccc2n1
InChIInChI=1S/C14H12ClNO4/c1-9(17)7-20-14(18)8-19-13-6-5-10-11(15)3-2-4-12(10)16-13/h2-6H,7-8H2,1H3
InChIKeyAFBWARYHPMWFQV-UHFFFAOYSA-N
XLogP2.40
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
2-(2-ethoxy-2-oxoethoxy)quinoline-6-carboxylic acid
CID 168935322
2,5-dichloroquinoline
CID 676552
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
7-(2-oxopropoxy)-4-phenylpyrano[2,3-b]pyridin-2-one
CID 122537726
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
5-chloro-2-(3-methylbutan-2-yl)quinoline
CID 144941116
[3-[(E)-2-(5-chloroquinolin-2-yl)ethenyl]phenyl] acetate
CID 10064810
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424
2-amino-N-[4-[(2,6-dichlorophenyl)methoxy]-2-methylquinolin-3-yl]-N-methylacetamide
CID 22072227
(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate?
The IUPAC name of 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate (CID 157094840) is 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate.
What is the SMILES notation for 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate?
The canonical SMILES for 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate is CC(=O)COC(=O)COc1ccc2c(Cl)cccc2n1.
What is the InChIKey of 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate?
The InChIKey is AFBWARYHPMWFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-9(17)7-20-14(18)8-19-13-6-5-10-11(15)3-2-4-12(10)16-13/h2-6H,7-8H2,1H3.
What are the key properties of 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate?
2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate has a molecular weight of 293.71 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(5-chloroquinolin-2-yl)oxyacetate is sourced from PubChem (CID 157094840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).