N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide

C20H19FN2O2 — CID 71181310

IUPACN-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide
SMILESCC(=O)NCCOc1cc(-c2ccc(F)cc2)cc2c(C)ccnc12
InChIInChI=1S/C20H19FN2O2/c1-13-7-8-23-20-18(13)11-16(15-3-5-17(21)6-4-15)12-19(20)25-10-9-22-14(2)24/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyQJMLZWQDGQYFSL-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.86
Rot. Bonds5

About N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide

N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide (PubChem CID 71181310) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide
PubChem CID71181310
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide
SMILESCC(=O)NCCOc1cc(-c2ccc(F)cc2)cc2c(C)ccnc12
InChIInChI=1S/C20H19FN2O2/c1-13-7-8-23-20-18(13)11-16(15-3-5-17(21)6-4-15)12-19(20)25-10-9-22-14(2)24/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyQJMLZWQDGQYFSL-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide?
The IUPAC name of N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide (CID 71181310) is N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide is CC(=O)NCCOc1cc(-c2ccc(F)cc2)cc2c(C)ccnc12.
What is the InChIKey of N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide?
The InChIKey is QJMLZWQDGQYFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-7-8-23-20-18(13)11-16(15-3-5-17(21)6-4-15)12-19(20)25-10-9-22-14(2)24/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide?
N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide has a molecular weight of 338.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluorophenyl)-4-methylquinolin-8-yl]oxyethyl]acetamide is sourced from PubChem (CID 71181310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).