2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide

C22H25FN2O2 — CID 16927222

IUPAC2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H25FN2O2/c1-15(2)11-12-25-20-9-8-19(14-17(20)5-10-22(25)27)24-21(26)13-16-3-6-18(23)7-4-16/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,24,26)
InChIKeyCLQCEZTYZCHWRG-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.33
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide

2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide (PubChem CID 16927222) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
PubChem CID16927222
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21
InChIInChI=1S/C22H25FN2O2/c1-15(2)11-12-25-20-9-8-19(14-17(20)5-10-22(25)27)24-21(26)13-16-3-6-18(23)7-4-16/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,24,26)
InChIKeyCLQCEZTYZCHWRG-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.33
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-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide (CID 16927222) is 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The InChIKey is CLQCEZTYZCHWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15(2)11-12-25-20-9-8-19(14-17(20)5-10-22(25)27)24-21(26)13-16-3-6-18(23)7-4-16/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide has a molecular weight of 368.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]acetamide is sourced from PubChem (CID 16927222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).