2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide

C22H27FN2O2 — CID 16837198

IUPAC2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCCCN1CCCc2cc(CCNC(=O)COc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H27FN2O2/c1-2-13-25-14-3-4-18-15-17(5-10-21(18)25)11-12-24-22(26)16-27-20-8-6-19(23)7-9-20/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,26)
InChIKeyUXDSERNCEPQBLY-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.73
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (PubChem CID 16837198) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
PubChem CID16837198
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCCCN1CCCc2cc(CCNC(=O)COc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H27FN2O2/c1-2-13-25-14-3-4-18-15-17(5-10-21(18)25)11-12-24-22(26)16-27-20-8-6-19(23)7-9-20/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,26)
InChIKeyUXDSERNCEPQBLY-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (CID 16837198) is 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is CCCN1CCCc2cc(CCNC(=O)COc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The InChIKey is UXDSERNCEPQBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-2-13-25-14-3-4-18-15-17(5-10-21(18)25)11-12-24-22(26)16-27-20-8-6-19(23)7-9-20/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 16837198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).