5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol

C20H21N3O — CID 1090308

IUPAC5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(c3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C20H21N3O/c24-19-9-8-16(18-7-4-10-21-20(18)19)15-22-11-13-23(14-12-22)17-5-2-1-3-6-17/h1-10,24H,11-15H2
InChIKeyJGIYPOIEJZBYNH-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.26
Rot. Bonds3

About 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol

5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 1090308) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID1090308
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCN(c3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C20H21N3O/c24-19-9-8-16(18-7-4-10-21-20(18)19)15-22-11-13-23(14-12-22)17-5-2-1-3-6-17/h1-10,24H,11-15H2
InChIKeyJGIYPOIEJZBYNH-UHFFFAOYSA-N
XLogP3.26
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol (CID 1090308) is 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol is Oc1ccc(CN2CCN(c3ccccc3)CC2)c2cccnc12.
What is the InChIKey of 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is JGIYPOIEJZBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-19-9-8-16(18-7-4-10-21-20(18)19)15-22-11-13-23(14-12-22)17-5-2-1-3-6-17/h1-10,24H,11-15H2.
What are the key properties of 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol?
5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 319.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 1090308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).