2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline

C20H20FN3O — CID 133315726

IUPAC2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
SMILESCOc1cc(F)ccc1N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H20FN3O/c1-25-19-14-16(21)7-8-18(19)23-10-12-24(13-11-23)20-9-6-15-4-2-3-5-17(15)22-20/h2-9,14H,10-13H2,1H3
InChIKeyGWOQZUONIQYBRW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.71
Rot. Bonds3

About 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline

2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline (PubChem CID 133315726) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
PubChem CID133315726
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
SMILESCOc1cc(F)ccc1N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H20FN3O/c1-25-19-14-16(21)7-8-18(19)23-10-12-24(13-11-23)20-9-6-15-4-2-3-5-17(15)22-20/h2-9,14H,10-13H2,1H3
InChIKeyGWOQZUONIQYBRW-UHFFFAOYSA-N
XLogP3.71
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline 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

1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-(methoxymethyl)pyrimidine
CID 136568988
1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 133315732
2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
6-fluoro-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083473
6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
CID 67704408
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538787
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
1-(3-fluorophenoxy)piperazine;2-piperidin-1-ylquinoline
CID 175248261
1-(4-fluoro-2-methoxyphenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 133315780
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline?
The IUPAC name of 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline (CID 133315726) is 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline?
The canonical SMILES for 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline is COc1cc(F)ccc1N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline?
The InChIKey is GWOQZUONIQYBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-25-19-14-16(21)7-8-18(19)23-10-12-24(13-11-23)20-9-6-15-4-2-3-5-17(15)22-20/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline?
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline has a molecular weight of 337.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 133315726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).