5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one

C14H16N4O — CID 63660995

IUPAC5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one
SMILESNc1ccc(NC2CCC(=O)NC2)c2cccnc12
InChIInChI=1S/C14H16N4O/c15-11-4-5-12(10-2-1-7-16-14(10)11)18-9-3-6-13(19)17-8-9/h1-2,4-5,7,9,18H,3,6,8,15H2,(H,17,19)
InChIKeySJQJQSSJMTYXPU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.51
Rot. Bonds2

About 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one

5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one (PubChem CID 63660995) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one
PubChem CID63660995
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one
SMILESNc1ccc(NC2CCC(=O)NC2)c2cccnc12
InChIInChI=1S/C14H16N4O/c15-11-4-5-12(10-2-1-7-16-14(10)11)18-9-3-6-13(19)17-8-9/h1-2,4-5,7,9,18H,3,6,8,15H2,(H,17,19)
InChIKeySJQJQSSJMTYXPU-UHFFFAOYSA-N
XLogP1.51
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one (CID 63660995) is 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one is Nc1ccc(NC2CCC(=O)NC2)c2cccnc12.
What is the InChIKey of 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one?
The InChIKey is SJQJQSSJMTYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-11-4-5-12(10-2-1-7-16-14(10)11)18-9-3-6-13(19)17-8-9/h1-2,4-5,7,9,18H,3,6,8,15H2,(H,17,19).
What are the key properties of 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one?
5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-aminoquinolin-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 63660995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).