5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide

C22H21FN2O3 — CID 110413637

IUPAC5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H21FN2O3/c23-18-10-8-15(9-11-18)20(26)6-3-7-21(27)24-13-12-17-14-16-4-1-2-5-19(16)25-22(17)28/h1-2,4-5,8-11,14H,3,6-7,12-13H2,(H,24,27)(H,25,28)
InChIKeyDFKIPPODIVTCQN-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.38
Rot. Bonds8

About 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide

5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide (PubChem CID 110413637) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
PubChem CID110413637
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C22H21FN2O3/c23-18-10-8-15(9-11-18)20(26)6-3-7-21(27)24-13-12-17-14-16-4-1-2-5-19(16)25-22(17)28/h1-2,4-5,8-11,14H,3,6-7,12-13H2,(H,24,27)(H,25,28)
InChIKeyDFKIPPODIVTCQN-UHFFFAOYSA-N
XLogP3.38
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150
4-(4-chlorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110413628
3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110674043
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
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 110325649
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110616824
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
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
5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide
CID 110616660
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
The IUPAC name of 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide (CID 110413637) is 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide is O=C(CCCC(=O)c1ccc(F)cc1)NCCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
The InChIKey is DFKIPPODIVTCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-18-10-8-15(9-11-18)20(26)6-3-7-21(27)24-13-12-17-14-16-4-1-2-5-19(16)25-22(17)28/h1-2,4-5,8-11,14H,3,6-7,12-13H2,(H,24,27)(H,25,28).
What are the key properties of 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide?
5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide has a molecular weight of 380.42 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide is sourced from PubChem (CID 110413637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).