N-quinolin-6-ylhydroxylamine

C36H32N8O4 — CID 139087007

IUPACN-quinolin-6-ylhydroxylamine
SMILESONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1
InChIInChI=1S/4C9H8N2O/c4*12-11-8-3-4-9-7(6-8)2-1-5-10-9/h4*1-6,11-12H
InChIKeyIEGMDUHEPYFYIU-UHFFFAOYSA-N
MW640.70 g/mol
LogP8.14
Rot. Bonds4

About N-quinolin-6-ylhydroxylamine

N-quinolin-6-ylhydroxylamine (PubChem CID 139087007) has the molecular formula C36H32N8O4 and a molecular weight of 640.70 g/mol. Its IUPAC name is N-quinolin-6-ylhydroxylamine.

Molecular Properties

Compound NameN-quinolin-6-ylhydroxylamine
PubChem CID139087007
Molecular FormulaC36H32N8O4
Molecular Weight640.70 g/mol
Exact Mass640.25
IUPAC NameN-quinolin-6-ylhydroxylamine
SMILESONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1
InChIInChI=1S/4C9H8N2O/c4*12-11-8-3-4-9-7(6-8)2-1-5-10-9/h4*1-6,11-12H
InChIKeyIEGMDUHEPYFYIU-UHFFFAOYSA-N
XLogP8.14
TPSA180.60 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500640.70
LogP ≤ 58.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-ylhydroxylamine?
The IUPAC name of N-quinolin-6-ylhydroxylamine (CID 139087007) is N-quinolin-6-ylhydroxylamine.
What is the SMILES notation for N-quinolin-6-ylhydroxylamine?
The canonical SMILES for N-quinolin-6-ylhydroxylamine is ONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1.ONc1ccc2ncccc2c1.
What is the InChIKey of N-quinolin-6-ylhydroxylamine?
The InChIKey is IEGMDUHEPYFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H8N2O/c4*12-11-8-3-4-9-7(6-8)2-1-5-10-9/h4*1-6,11-12H.
What are the key properties of N-quinolin-6-ylhydroxylamine?
N-quinolin-6-ylhydroxylamine has a molecular weight of 640.70 g/mol, XLogP of 8.14, 4 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-ylhydroxylamine is sourced from PubChem (CID 139087007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).