2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol

C15H20N4O — CID 43501326

IUPAC2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
SMILESNc1ccc2nc(N3CCN(CCO)CC3)ccc2c1
InChIInChI=1S/C15H20N4O/c16-13-2-3-14-12(11-13)1-4-15(17-14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10,16H2
InChIKeyUAXGPAAZVSCLLG-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.93
Rot. Bonds3

About 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol

2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol (PubChem CID 43501326) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
PubChem CID43501326
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
SMILESNc1ccc2nc(N3CCN(CCO)CC3)ccc2c1
InChIInChI=1S/C15H20N4O/c16-13-2-3-14-12(11-13)1-4-15(17-14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10,16H2
InChIKeyUAXGPAAZVSCLLG-UHFFFAOYSA-N
XLogP0.93
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol (CID 43501326) is 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol is Nc1ccc2nc(N3CCN(CCO)CC3)ccc2c1.
What is the InChIKey of 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is UAXGPAAZVSCLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-13-2-3-14-12(11-13)1-4-15(17-14)19-7-5-18(6-8-19)9-10-20/h1-4,11,20H,5-10,16H2.
What are the key properties of 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol?
2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 272.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 43501326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).