7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline

C20H22FN3OS — CID 166222667

IUPAC7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline
SMILESCOc1cc2c(N3CCN(CCc4cccs4)CC3)ccnc2cc1F
InChIInChI=1S/C20H22FN3OS/c1-25-20-13-16-18(14-17(20)21)22-6-4-19(16)24-10-8-23(9-11-24)7-5-15-3-2-12-26-15/h2-4,6,12-14H,5,7-11H2,1H3
InChIKeyIYQPHJWFGYHQTJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.81
Rot. Bonds5

About 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline

7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline (PubChem CID 166222667) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline
PubChem CID166222667
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline
SMILESCOc1cc2c(N3CCN(CCc4cccs4)CC3)ccnc2cc1F
InChIInChI=1S/C20H22FN3OS/c1-25-20-13-16-18(14-17(20)21)22-6-4-19(16)24-10-8-23(9-11-24)7-5-15-3-2-12-26-15/h2-4,6,12-14H,5,7-11H2,1H3
InChIKeyIYQPHJWFGYHQTJ-UHFFFAOYSA-N
XLogP3.81
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline (CID 166222667) is 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline is COc1cc2c(N3CCN(CCc4cccs4)CC3)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline?
The InChIKey is IYQPHJWFGYHQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-25-20-13-16-18(14-17(20)21)22-6-4-19(16)24-10-8-23(9-11-24)7-5-15-3-2-12-26-15/h2-4,6,12-14H,5,7-11H2,1H3.
What are the key properties of 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline?
7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline has a molecular weight of 371.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 166222667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).