N-quinolin-3-ylhydroxylamine

C9H8N2O — CID 54286324

IUPACN-quinolin-3-ylhydroxylamine
SMILESONc1cnc2ccccc2c1
InChIInChI=1S/C9H8N2O/c12-11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11-12H
InChIKeyQHPXHHOPESNQRT-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.04
Rot. Bonds1

About N-quinolin-3-ylhydroxylamine

N-quinolin-3-ylhydroxylamine (PubChem CID 54286324) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is N-quinolin-3-ylhydroxylamine.

Molecular Properties

Compound NameN-quinolin-3-ylhydroxylamine
PubChem CID54286324
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC NameN-quinolin-3-ylhydroxylamine
SMILESONc1cnc2ccccc2c1
InChIInChI=1S/C9H8N2O/c12-11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11-12H
InChIKeyQHPXHHOPESNQRT-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3-ylhydroxylamine?
The IUPAC name of N-quinolin-3-ylhydroxylamine (CID 54286324) is N-quinolin-3-ylhydroxylamine.
What is the SMILES notation for N-quinolin-3-ylhydroxylamine?
The canonical SMILES for N-quinolin-3-ylhydroxylamine is ONc1cnc2ccccc2c1.
What is the InChIKey of N-quinolin-3-ylhydroxylamine?
The InChIKey is QHPXHHOPESNQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11-12H.
What are the key properties of N-quinolin-3-ylhydroxylamine?
N-quinolin-3-ylhydroxylamine has a molecular weight of 160.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-ylhydroxylamine is sourced from PubChem (CID 54286324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).