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

C17H22N4O2 — CID 110451190

IUPAC2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESNc1ccc2nc(CC(=O)N3CCN(CCO)CC3)ccc2c1
InChIInChI=1S/C17H22N4O2/c18-14-2-4-16-13(11-14)1-3-15(19-16)12-17(23)21-7-5-20(6-8-21)9-10-22/h1-4,11,22H,5-10,12,18H2
InChIKeyYYOZMNBDZXGUQO-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.50
Rot. Bonds4

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

2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 110451190) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID110451190
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESNc1ccc2nc(CC(=O)N3CCN(CCO)CC3)ccc2c1
InChIInChI=1S/C17H22N4O2/c18-14-2-4-16-13(11-14)1-3-15(19-16)12-17(23)21-7-5-20(6-8-21)9-10-22/h1-4,11,22H,5-10,12,18H2
InChIKeyYYOZMNBDZXGUQO-UHFFFAOYSA-N
XLogP0.50
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-aminoquinolin-2-yl)-1-pyrrolidin-1-ylethanone
CID 82547452
2-[4-(6-aminoquinolin-2-yl)piperazin-1-yl]ethanol
CID 43501326
2-(6-aminoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 82546933
2-(6-fluoroquinolin-2-yl)-1-piperidin-1-ylethanone
CID 110490426
2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine
CID 11994653
(6-aminoquinolin-2-yl)methanol
CID 22763701
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
(5-amino-1-benzothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 61093044
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 43501406
2-(3-aminophenyl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 18894944
5-amino-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816340
2-(6-aminoquinolin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 82547092

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 110451190) is 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is Nc1ccc2nc(CC(=O)N3CCN(CCO)CC3)ccc2c1.
What is the InChIKey of 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is YYOZMNBDZXGUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-14-2-4-16-13(11-14)1-3-15(19-16)12-17(23)21-7-5-20(6-8-21)9-10-22/h1-4,11,22H,5-10,12,18H2.
What are the key properties of 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoquinolin-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110451190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).