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

C15H19N3O — CID 3156674

IUPAC5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCN1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C15H19N3O/c1-17-7-9-18(10-8-17)11-12-4-5-14(19)15-13(12)3-2-6-16-15/h2-6,19H,7-11H2,1H3
InChIKeyIAALKBPGEDMXOE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.69
Rot. Bonds2

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

5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 3156674) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID3156674
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESCN1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C15H19N3O/c1-17-7-9-18(10-8-17)11-12-4-5-14(19)15-13(12)3-2-6-16-15/h2-6,19H,7-11H2,1H3
InChIKeyIAALKBPGEDMXOE-UHFFFAOYSA-N
XLogP1.69
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol (CID 3156674) is 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol is CN1CCN(Cc2ccc(O)c3ncccc23)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is IAALKBPGEDMXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-7-9-18(10-8-17)11-12-4-5-14(19)15-13(12)3-2-6-16-15/h2-6,19H,7-11H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol?
5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 257.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 3156674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).