(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine

C10H9N3O — CID 11805473

IUPAC(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
SMILESNc1c(/C=N/O)ccc2ncccc12
InChIInChI=1S/C10H9N3O/c11-10-7(6-13-14)3-4-9-8(10)2-1-5-12-9/h1-6,14H,11H2/b13-6+
InChIKeyLIORMTVHNLXADF-AWNIVKPZSA-N
MW187.20 g/mol
LogP1.63
Rot. Bonds1

About (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine

(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine (PubChem CID 11805473) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
PubChem CID11805473
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
SMILESNc1c(/C=N/O)ccc2ncccc12
InChIInChI=1S/C10H9N3O/c11-10-7(6-13-14)3-4-9-8(10)2-1-5-12-9/h1-6,14H,11H2/b13-6+
InChIKeyLIORMTVHNLXADF-AWNIVKPZSA-N
XLogP1.63
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine 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 (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine (CID 11805473) is (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine is Nc1c(/C=N/O)ccc2ncccc12.
What is the InChIKey of (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine?
The InChIKey is LIORMTVHNLXADF-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10-7(6-13-14)3-4-9-8(10)2-1-5-12-9/h1-6,14H,11H2/b13-6+.
What are the key properties of (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine?
(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine has a molecular weight of 187.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 11805473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).