N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide

C27H25FN4O2 — CID 16812630

IUPACN-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12)Nc1ccccc1F
InChIInChI=1S/C27H25FN4O2/c28-22-10-4-5-11-23(22)29-26(33)19-34-24-12-6-7-20-13-14-25(30-27(20)24)32-17-15-31(16-18-32)21-8-2-1-3-9-21/h1-14H,15-19H2,(H,29,33)
InChIKeyJCAJSOXHZUJQOC-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.72
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide

N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide (PubChem CID 16812630) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
PubChem CID16812630
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC NameN-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12)Nc1ccccc1F
InChIInChI=1S/C27H25FN4O2/c28-22-10-4-5-11-23(22)29-26(33)19-34-24-12-6-7-20-13-14-25(30-27(20)24)32-17-15-31(16-18-32)21-8-2-1-3-9-21/h1-14H,15-19H2,(H,29,33)
InChIKeyJCAJSOXHZUJQOC-UHFFFAOYSA-N
XLogP4.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide
CID 16812603
N-(4-acetamidophenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 16826739
2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27555622
N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570656
2-(2-morpholin-4-ylquinolin-8-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16896792
N-(4-ethylphenyl)-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570644
N-(4-acetylphenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 20933073
1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 20933082
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
1-[8-[2-(2,4-dimethylanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 16801829
N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide
CID 16812643
2-[(2-bromo-3-pyridinyl)oxy]-N-(2-fluorophenyl)acetamide
CID 65102015

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide (CID 16812630) is N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide is O=C(COc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
The InChIKey is JCAJSOXHZUJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c28-22-10-4-5-11-23(22)29-26(33)19-34-24-12-6-7-20-13-14-25(30-27(20)24)32-17-15-31(16-18-32)21-8-2-1-3-9-21/h1-14H,15-19H2,(H,29,33).
What are the key properties of N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide?
N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide has a molecular weight of 456.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide is sourced from PubChem (CID 16812630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).