2-aminooxyquinoline-3-carbonitrile

C10H7N3O — CID 79428032

IUPAC2-aminooxyquinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1ON
InChIInChI=1S/C10H7N3O/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)14-12/h1-5H,12H2
InChIKeyYRBJFDAWRNGCKJ-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.36
Rot. Bonds1

About 2-aminooxyquinoline-3-carbonitrile

2-aminooxyquinoline-3-carbonitrile (PubChem CID 79428032) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-aminooxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-aminooxyquinoline-3-carbonitrile
PubChem CID79428032
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-aminooxyquinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1ON
InChIInChI=1S/C10H7N3O/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)14-12/h1-5H,12H2
InChIKeyYRBJFDAWRNGCKJ-UHFFFAOYSA-N
XLogP1.36
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-aminooxyquinoline-3-carbonitrile 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 2-aminooxyquinoline-3-carbonitrile?
The IUPAC name of 2-aminooxyquinoline-3-carbonitrile (CID 79428032) is 2-aminooxyquinoline-3-carbonitrile.
What is the SMILES notation for 2-aminooxyquinoline-3-carbonitrile?
The canonical SMILES for 2-aminooxyquinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1ON.
What is the InChIKey of 2-aminooxyquinoline-3-carbonitrile?
The InChIKey is YRBJFDAWRNGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)14-12/h1-5H,12H2.
What are the key properties of 2-aminooxyquinoline-3-carbonitrile?
2-aminooxyquinoline-3-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyquinoline-3-carbonitrile is sourced from PubChem (CID 79428032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).