propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate

C15H15F2NO3 — CID 54772837

IUPACpropan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate
SMILESCc1cc(OCC(=O)OC(C)C)c2c(F)ccc(F)c2n1
InChIInChI=1S/C15H15F2NO3/c1-8(2)21-13(19)7-20-12-6-9(3)18-15-11(17)5-4-10(16)14(12)15/h4-6,8H,7H2,1-3H3
InChIKeyATHJUPXREAAXCQ-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.15
Rot. Bonds4

About propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate

propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate (PubChem CID 54772837) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate
PubChem CID54772837
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC Namepropan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate
SMILESCc1cc(OCC(=O)OC(C)C)c2c(F)ccc(F)c2n1
InChIInChI=1S/C15H15F2NO3/c1-8(2)21-13(19)7-20-12-6-9(3)18-15-11(17)5-4-10(16)14(12)15/h4-6,8H,7H2,1-3H3
InChIKeyATHJUPXREAAXCQ-UHFFFAOYSA-N
XLogP3.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate?
The IUPAC name of propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate (CID 54772837) is propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate.
What is the SMILES notation for propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate?
The canonical SMILES for propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate is Cc1cc(OCC(=O)OC(C)C)c2c(F)ccc(F)c2n1.
What is the InChIKey of propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate?
The InChIKey is ATHJUPXREAAXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-8(2)21-13(19)7-20-12-6-9(3)18-15-11(17)5-4-10(16)14(12)15/h4-6,8H,7H2,1-3H3.
What are the key properties of propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate?
propan-2-yl 2-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate has a molecular weight of 295.29 g/mol, XLogP of 3.15, 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-(5,8-difluoro-2-methylquinolin-4-yl)oxyacetate is sourced from PubChem (CID 54772837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).