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

C20H21N3O — CID 5199379

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline
SMILESCOc1ccccc1N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H21N3O/c1-24-19-9-5-4-8-18(19)22-12-14-23(15-13-22)20-11-10-16-6-2-3-7-17(16)21-20/h2-11H,12-15H2,1H3
InChIKeyJCTSLWVNRLJSRO-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.57
Rot. Bonds3

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline (PubChem CID 5199379) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline
PubChem CID5199379
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline
SMILESCOc1ccccc1N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H21N3O/c1-24-19-9-5-4-8-18(19)22-12-14-23(15-13-22)20-11-10-16-6-2-3-7-17(16)21-20/h2-11H,12-15H2,1H3
InChIKeyJCTSLWVNRLJSRO-UHFFFAOYSA-N
XLogP3.57
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline (CID 5199379) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline is COc1ccccc1N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline?
The InChIKey is JCTSLWVNRLJSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-24-19-9-5-4-8-18(19)22-12-14-23(15-13-22)20-11-10-16-6-2-3-7-17(16)21-20/h2-11H,12-15H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline?
2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline has a molecular weight of 319.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 5199379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).