N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C22H25FN2O3 — CID 55977616

IUPACN-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCCOCCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C22H25FN2O3/c1-2-28-15-5-9-21(26)25-14-4-6-18-19(7-3-8-20(18)25)24-22(27)16-10-12-17(23)13-11-16/h3,7-8,10-13H,2,4-6,9,14-15H2,1H3,(H,24,27)
InChIKeyIAQZTHDPAPSWHX-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.17
Rot. Bonds7

About N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 55977616) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID55977616
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCCOCCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C22H25FN2O3/c1-2-28-15-5-9-21(26)25-14-4-6-18-19(7-3-8-20(18)25)24-22(27)16-10-12-17(23)13-11-16/h3,7-8,10-13H,2,4-6,9,14-15H2,1H3,(H,24,27)
InChIKeyIAQZTHDPAPSWHX-UHFFFAOYSA-N
XLogP4.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.17
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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Related Compounds

N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 78979818
N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978631
N-[1-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55979289
4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548756
N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548669
N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548609
4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979035
4-fluoro-N-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548479
4-fluoro-N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548822

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 55977616) is N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is CCOCCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21.
What is the InChIKey of N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is IAQZTHDPAPSWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-2-28-15-5-9-21(26)25-14-4-6-18-19(7-3-8-20(18)25)24-22(27)16-10-12-17(23)13-11-16/h3,7-8,10-13H,2,4-6,9,14-15H2,1H3,(H,24,27).
What are the key properties of N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 384.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 55977616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).