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

C22H25N3O — CID 3044972

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline
SMILESCOc1ccccc1N1CCN(CCc2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H25N3O/c1-26-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23-19/h2-11H,12-17H2,1H3
InChIKeyDLDKERYAZGDBHR-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.61
Rot. Bonds5

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

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline (PubChem CID 3044972) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline
PubChem CID3044972
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline
SMILESCOc1ccccc1N1CCN(CCc2ccc3ccccc3n2)CC1
InChIInChI=1S/C22H25N3O/c1-26-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23-19/h2-11H,12-17H2,1H3
InChIKeyDLDKERYAZGDBHR-UHFFFAOYSA-N
XLogP3.61
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline (CID 3044972) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline is COc1ccccc1N1CCN(CCc2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline?
The InChIKey is DLDKERYAZGDBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-26-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23-19/h2-11H,12-17H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline has a molecular weight of 347.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline is sourced from PubChem (CID 3044972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).