5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol

C21H23N3O2 — CID 2303849

IUPAC5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESCOc1ccccc1N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-26-20-7-3-2-6-18(20)24-13-11-23(12-14-24)15-16-8-9-19(25)21-17(16)5-4-10-22-21/h2-10,25H,11-15H2,1H3
InChIKeyLXKCKCXTVCHHDJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.27
Rot. Bonds4

About 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol

5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 2303849) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID2303849
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESCOc1ccccc1N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C21H23N3O2/c1-26-20-7-3-2-6-18(20)24-13-11-23(12-14-24)15-16-8-9-19(25)21-17(16)5-4-10-22-21/h2-10,25H,11-15H2,1H3
InChIKeyLXKCKCXTVCHHDJ-UHFFFAOYSA-N
XLogP3.27
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol (CID 2303849) is 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol is COc1ccccc1N1CCN(Cc2ccc(O)c3ncccc23)CC1.
What is the InChIKey of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is LXKCKCXTVCHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-20-7-3-2-6-18(20)24-13-11-23(12-14-24)15-16-8-9-19(25)21-17(16)5-4-10-22-21/h2-10,25H,11-15H2,1H3.
What are the key properties of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol?
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 349.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 2303849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).