5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

C19H20N4O — CID 1090306

IUPAC5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(c3ccccn3)CC2)c2cccnc12
InChIInChI=1S/C19H20N4O/c24-17-7-6-15(16-4-3-9-21-19(16)17)14-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-9,24H,10-14H2
InChIKeyUPUZGHCRYUIOSV-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.66
Rot. Bonds3

About 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 1090306) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID1090306
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(c3ccccn3)CC2)c2cccnc12
InChIInChI=1S/C19H20N4O/c24-17-7-6-15(16-4-3-9-21-19(16)17)14-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-9,24H,10-14H2
InChIKeyUPUZGHCRYUIOSV-UHFFFAOYSA-N
XLogP2.66
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol (CID 1090306) is 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol is Oc1ccc(CN2CCN(c3ccccn3)CC2)c2cccnc12.
What is the InChIKey of 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is UPUZGHCRYUIOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-17-7-6-15(16-4-3-9-21-19(16)17)14-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-9,24H,10-14H2.
What are the key properties of 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 320.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 1090306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).