methyl 2-(5-chloroquinolin-8-yl)oxyacetate

C12H10ClNO3 — CID 15257198

IUPACmethyl 2-(5-chloroquinolin-8-yl)oxyacetate
SMILESCOC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H10ClNO3/c1-16-11(15)7-17-10-5-4-9(13)8-3-2-6-14-12(8)10/h2-6H,7H2,1H3
InChIKeyNDQZMBNEHYSVPL-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.44
Rot. Bonds3

About methyl 2-(5-chloroquinolin-8-yl)oxyacetate

methyl 2-(5-chloroquinolin-8-yl)oxyacetate (PubChem CID 15257198) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is methyl 2-(5-chloroquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloroquinolin-8-yl)oxyacetate
PubChem CID15257198
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Namemethyl 2-(5-chloroquinolin-8-yl)oxyacetate
SMILESCOC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C12H10ClNO3/c1-16-11(15)7-17-10-5-4-9(13)8-3-2-6-14-12(8)10/h2-6H,7H2,1H3
InChIKeyNDQZMBNEHYSVPL-UHFFFAOYSA-N
XLogP2.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
CID 174478741
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-chloroquinolin-8-yl)oxy-N-(3,5-dimethoxyphenyl)acetamide
CID 8005978
S-octyl 2-(5-chloroquinolin-8-yl)oxyethanethioate
CID 23180345
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-methylhexyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 140972569
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
2-(5-chloroquinolin-8-yl)oxy-N-[3-(methylamino)propyl]acetamide;dihydrochloride
CID 119430250

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloroquinolin-8-yl)oxyacetate?
The IUPAC name of methyl 2-(5-chloroquinolin-8-yl)oxyacetate (CID 15257198) is methyl 2-(5-chloroquinolin-8-yl)oxyacetate.
What is the SMILES notation for methyl 2-(5-chloroquinolin-8-yl)oxyacetate?
The canonical SMILES for methyl 2-(5-chloroquinolin-8-yl)oxyacetate is COC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of methyl 2-(5-chloroquinolin-8-yl)oxyacetate?
The InChIKey is NDQZMBNEHYSVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-16-11(15)7-17-10-5-4-9(13)8-3-2-6-14-12(8)10/h2-6H,7H2,1H3.
What are the key properties of methyl 2-(5-chloroquinolin-8-yl)oxyacetate?
methyl 2-(5-chloroquinolin-8-yl)oxyacetate has a molecular weight of 251.67 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloroquinolin-8-yl)oxyacetate is sourced from PubChem (CID 15257198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).