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

C22H27FN2O — CID 16837154

IUPAC2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCCCN1CCCc2cc(CCNC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H27FN2O/c1-2-13-25-14-3-4-19-15-18(7-10-21(19)25)11-12-24-22(26)16-17-5-8-20(23)9-6-17/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,26)
InChIKeyJETMBKIRRANXQK-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.89
Rot. Bonds7

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

2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (PubChem CID 16837154) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
PubChem CID16837154
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCCCN1CCCc2cc(CCNC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H27FN2O/c1-2-13-25-14-3-4-19-15-18(7-10-21(19)25)11-12-24-22(26)16-17-5-8-20(23)9-6-17/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,26)
InChIKeyJETMBKIRRANXQK-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (CID 16837154) is 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is CCCN1CCCc2cc(CCNC(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The InChIKey is JETMBKIRRANXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-2-13-25-14-3-4-19-15-18(7-10-21(19)25)11-12-24-22(26)16-17-5-8-20(23)9-6-17/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide has a molecular weight of 354.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 16837154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).