4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide

C21H21FN2O2 — CID 110415150

IUPAC4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H21FN2O2/c22-18-10-8-15(9-11-18)4-3-7-20(25)23-13-12-17-14-16-5-1-2-6-19(16)24-21(17)26/h1-2,5-6,8-11,14H,3-4,7,12-13H2,(H,23,25)(H,24,26)
InChIKeyUAQGDESJMVJCEH-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.35
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide

4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide (PubChem CID 110415150) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
PubChem CID110415150
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
SMILESO=C(CCCc1ccc(F)cc1)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H21FN2O2/c22-18-10-8-15(9-11-18)4-3-7-20(25)23-13-12-17-14-16-5-1-2-6-19(16)24-21(17)26/h1-2,5-6,8-11,14H,3-4,7,12-13H2,(H,23,25)(H,24,26)
InChIKeyUAQGDESJMVJCEH-UHFFFAOYSA-N
XLogP3.35
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110413628
5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
CID 110413637
3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110616746
3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110674043
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740
3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110414837
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide (CID 110415150) is 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide is O=C(CCCc1ccc(F)cc1)NCCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
The InChIKey is UAQGDESJMVJCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-18-10-8-15(9-11-18)4-3-7-20(25)23-13-12-17-14-16-5-1-2-6-19(16)24-21(17)26/h1-2,5-6,8-11,14H,3-4,7,12-13H2,(H,23,25)(H,24,26).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide?
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide has a molecular weight of 352.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide is sourced from PubChem (CID 110415150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).