N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide

C20H21FN2O2 — CID 52725585

IUPACN-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
SMILESCCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C20H21FN2O2/c1-2-5-19(24)23-13-4-6-16-17(7-3-8-18(16)23)22-20(25)14-9-11-15(21)12-10-14/h3,7-12H,2,4-6,13H2,1H3,(H,22,25)
InChIKeyYPWWBBLWIMMHFT-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.16
Rot. Bonds4

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

N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide (PubChem CID 52725585) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
PubChem CID52725585
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
SMILESCCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C20H21FN2O2/c1-2-5-19(24)23-13-4-6-16-17(7-3-8-18(16)23)22-20(25)14-9-11-15(21)12-10-14/h3,7-12H,2,4-6,13H2,1H3,(H,22,25)
InChIKeyYPWWBBLWIMMHFT-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55977616
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-[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-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978631
N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548609
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-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979035
4-fluoro-N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548822
N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548669
4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979296

Frequently Asked Questions

What is the IUPAC name of N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide (CID 52725585) is N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide is CCCC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21.
What is the InChIKey of N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
The InChIKey is YPWWBBLWIMMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-5-19(24)23-13-4-6-16-17(7-3-8-18(16)23)22-20(25)14-9-11-15(21)12-10-14/h3,7-12H,2,4-6,13H2,1H3,(H,22,25).
What are the key properties of N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide has a molecular weight of 340.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 52725585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).