(NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine

C15H20N2O2 — CID 90672064

IUPAC(NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine
SMILESCCCCCCc1ccc2c(c1)/c(=N/O)ccn2O
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-6-12-7-8-15-13(11-12)14(16-18)9-10-17(15)19/h7-11,18-19H,2-6H2,1H3/b16-14+
InChIKeyYEAPVHSIKUAYMC-JQIJEIRASA-N
MW260.34 g/mol
LogP3.29
Rot. Bonds5

About (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine

(NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine (PubChem CID 90672064) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine
PubChem CID90672064
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine
SMILESCCCCCCc1ccc2c(c1)/c(=N/O)ccn2O
InChIInChI=1S/C15H20N2O2/c1-2-3-4-5-6-12-7-8-15-13(11-12)14(16-18)9-10-17(15)19/h7-11,18-19H,2-6H2,1H3/b16-14+
InChIKeyYEAPVHSIKUAYMC-JQIJEIRASA-N
XLogP3.29
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)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-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine (CID 90672064) is (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine is CCCCCCc1ccc2c(c1)/c(=N/O)ccn2O.
What is the InChIKey of (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine?
The InChIKey is YEAPVHSIKUAYMC-JQIJEIRASA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-4-5-6-12-7-8-15-13(11-12)14(16-18)9-10-17(15)19/h7-11,18-19H,2-6H2,1H3/b16-14+.
What are the key properties of (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine?
(NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine has a molecular weight of 260.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-hexyl-1-hydroxyquinolin-4-ylidene)hydroxylamine is sourced from PubChem (CID 90672064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).