2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C21H20F2N4O2 — CID 169409049

IUPAC2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O2/c22-14-1-4-16(5-2-14)24-21(29)13-26-7-9-27(10-8-26)19-12-20(28)25-18-6-3-15(23)11-17(18)19/h1-6,11-12H,7-10,13H2,(H,24,29)(H,25,28)
InChIKeyORUNAGNLULTVQA-UHFFFAOYSA-N
MW398.41 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 169409049) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID169409049
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O2/c22-14-1-4-16(5-2-14)24-21(29)13-26-7-9-27(10-8-26)19-12-20(28)25-18-6-3-15(23)11-17(18)19/h1-6,11-12H,7-10,13H2,(H,24,29)(H,25,28)
InChIKeyORUNAGNLULTVQA-UHFFFAOYSA-N
XLogP2.57
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 136663642
2-[[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 169448285
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55431961
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
5-(ethylsulfonylamino)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50766240
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
4-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-3-[(4-fluorobenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053827
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 169409049) is 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(c2cc(=O)[nH]c3ccc(F)cc23)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ORUNAGNLULTVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-14-1-4-16(5-2-14)24-21(29)13-26-7-9-27(10-8-26)19-12-20(28)25-18-6-3-15(23)11-17(18)19/h1-6,11-12H,7-10,13H2,(H,24,29)(H,25,28).
What are the key properties of 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 169409049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).