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

C14H14ClNO3 — CID 19390515

IUPACpropan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
SMILESCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClNO3/c1-9(2)19-13(17)8-18-12-6-5-11(15)10-4-3-7-16-14(10)12/h3-7,9H,8H2,1-2H3
InChIKeyIEBWGBFBTXVGIF-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.22
Rot. Bonds4

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

propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate (PubChem CID 19390515) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
PubChem CID19390515
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Namepropan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
SMILESCC(C)OC(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H14ClNO3/c1-9(2)19-13(17)8-18-12-6-5-11(15)10-4-3-7-16-14(10)12/h3-7,9H,8H2,1-2H3
InChIKeyIEBWGBFBTXVGIF-UHFFFAOYSA-N
XLogP3.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate;hydrate
CID 66905962
2-methylhexyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 140972569
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
[[1-amino-2-(5-chloroquinolin-8-yl)oxyethylidene]amino] propanoate
CID 71320054
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
CID 119363599
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8716298
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate?
The IUPAC name of propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate (CID 19390515) is propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate.
What is the SMILES notation for propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate?
The canonical SMILES for propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate is CC(C)OC(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate?
The InChIKey is IEBWGBFBTXVGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9(2)19-13(17)8-18-12-6-5-11(15)10-4-3-7-16-14(10)12/h3-7,9H,8H2,1-2H3.
What are the key properties of propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate?
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate has a molecular weight of 279.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate is sourced from PubChem (CID 19390515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).