(2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate

C14H14FNO2 — CID 19776602

IUPAC(2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate
SMILESCCc1nc2ccc(F)cc2c(OC(C)=O)c1C
InChIInChI=1S/C14H14FNO2/c1-4-12-8(2)14(18-9(3)17)11-7-10(15)5-6-13(11)16-12/h5-7H,4H2,1-3H3
InChIKeyMRIVBHZSBLWDDP-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.17
Rot. Bonds2

About (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate

(2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate (PubChem CID 19776602) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate.

Molecular Properties

Compound Name(2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate
PubChem CID19776602
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate
SMILESCCc1nc2ccc(F)cc2c(OC(C)=O)c1C
InChIInChI=1S/C14H14FNO2/c1-4-12-8(2)14(18-9(3)17)11-7-10(15)5-6-13(11)16-12/h5-7H,4H2,1-3H3
InChIKeyMRIVBHZSBLWDDP-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate?
The IUPAC name of (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate (CID 19776602) is (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate.
What is the SMILES notation for (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate?
The canonical SMILES for (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate is CCc1nc2ccc(F)cc2c(OC(C)=O)c1C.
What is the InChIKey of (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate?
The InChIKey is MRIVBHZSBLWDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-4-12-8(2)14(18-9(3)17)11-7-10(15)5-6-13(11)16-12/h5-7H,4H2,1-3H3.
What are the key properties of (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate?
(2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate has a molecular weight of 247.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-fluoro-3-methylquinolin-4-yl) acetate is sourced from PubChem (CID 19776602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).