2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C17H19FNO3- — CID 140612642

IUPAC2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCc1nc2cccc(F)c2c(C)c1C(OC(C)(C)C)C(=O)[O-]
InChIInChI=1S/C17H20FNO3/c1-9-13(15(16(20)21)22-17(3,4)5)10(2)19-12-8-6-7-11(18)14(9)12/h6-8,15H,1-5H3,(H,20,21)/p-1
InChIKeyUSWDWAWARQGGBO-UHFFFAOYSA-M
MW304.34 g/mol
LogP2.60
Rot. Bonds3

About 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 140612642) has the molecular formula C17H19FNO3- and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID140612642
Molecular FormulaC17H19FNO3-
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCc1nc2cccc(F)c2c(C)c1C(OC(C)(C)C)C(=O)[O-]
InChIInChI=1S/C17H20FNO3/c1-9-13(15(16(20)21)22-17(3,4)5)10(2)19-12-8-6-7-11(18)14(9)12/h6-8,15H,1-5H3,(H,20,21)/p-1
InChIKeyUSWDWAWARQGGBO-UHFFFAOYSA-M
XLogP2.60
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 140612642) is 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is Cc1nc2cccc(F)c2c(C)c1C(OC(C)(C)C)C(=O)[O-].
What is the InChIKey of 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is USWDWAWARQGGBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20FNO3/c1-9-13(15(16(20)21)22-17(3,4)5)10(2)19-12-8-6-7-11(18)14(9)12/h6-8,15H,1-5H3,(H,20,21)/p-1.
What are the key properties of 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 304.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 140612642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).