3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one

C14H16N4O — CID 62092176

IUPAC3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one
SMILESNc1c(NC2CCCNC2=O)ccc2ncccc12
InChIInChI=1S/C14H16N4O/c15-13-9-3-1-7-16-10(9)5-6-11(13)18-12-4-2-8-17-14(12)19/h1,3,5-7,12,18H,2,4,8,15H2,(H,17,19)
InChIKeyGTZQLJROQAMLKV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.51
Rot. Bonds2

About 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one

3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one (PubChem CID 62092176) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one
PubChem CID62092176
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one
SMILESNc1c(NC2CCCNC2=O)ccc2ncccc12
InChIInChI=1S/C14H16N4O/c15-13-9-3-1-7-16-10(9)5-6-11(13)18-12-4-2-8-17-14(12)19/h1,3,5-7,12,18H,2,4,8,15H2,(H,17,19)
InChIKeyGTZQLJROQAMLKV-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 3-[(5-aminoquinolin-6-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 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one (CID 62092176) is 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one is Nc1c(NC2CCCNC2=O)ccc2ncccc12.
What is the InChIKey of 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one?
The InChIKey is GTZQLJROQAMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13-9-3-1-7-16-10(9)5-6-11(13)18-12-4-2-8-17-14(12)19/h1,3,5-7,12,18H,2,4,8,15H2,(H,17,19).
What are the key properties of 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one?
3-[(5-aminoquinolin-6-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 3-[(5-aminoquinolin-6-yl)amino]piperidin-2-one is sourced from PubChem (CID 62092176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).