6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine

C15H17N3O — CID 66393066

IUPAC6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine
SMILESNc1c(N2CC3CCC(C2)O3)ccc2ncccc12
InChIInChI=1S/C15H17N3O/c16-15-12-2-1-7-17-13(12)5-6-14(15)18-8-10-3-4-11(9-18)19-10/h1-2,5-7,10-11H,3-4,8-9,16H2
InChIKeyHYHCUCDHDAMOGX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.18
Rot. Bonds1

About 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine

6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine (PubChem CID 66393066) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine.

Molecular Properties

Compound Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine
PubChem CID66393066
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine
SMILESNc1c(N2CC3CCC(C2)O3)ccc2ncccc12
InChIInChI=1S/C15H17N3O/c16-15-12-2-1-7-17-13(12)5-6-14(15)18-8-10-3-4-11(9-18)19-10/h1-2,5-7,10-11H,3-4,8-9,16H2
InChIKeyHYHCUCDHDAMOGX-UHFFFAOYSA-N
XLogP2.18
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine 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 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine?
The IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine (CID 66393066) is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine.
What is the SMILES notation for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine?
The canonical SMILES for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine is Nc1c(N2CC3CCC(C2)O3)ccc2ncccc12.
What is the InChIKey of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine?
The InChIKey is HYHCUCDHDAMOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-15-12-2-1-7-17-13(12)5-6-14(15)18-8-10-3-4-11(9-18)19-10/h1-2,5-7,10-11H,3-4,8-9,16H2.
What are the key properties of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine?
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine has a molecular weight of 255.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinolin-5-amine is sourced from PubChem (CID 66393066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).