5-aminoquinolin-3-ol

C9H8N2O — CID 86583081

IUPAC5-aminoquinolin-3-ol
SMILESNc1cccc2ncc(O)cc12
InChIInChI=1S/C9H8N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-5,12H,10H2
InChIKeyYMXQIJJAGDBYPH-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.52
Rot. Bonds

About 5-aminoquinolin-3-ol

5-aminoquinolin-3-ol (PubChem CID 86583081) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-aminoquinolin-3-ol.

Molecular Properties

Compound Name5-aminoquinolin-3-ol
PubChem CID86583081
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-aminoquinolin-3-ol
SMILESNc1cccc2ncc(O)cc12
InChIInChI=1S/C9H8N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-5,12H,10H2
InChIKeyYMXQIJJAGDBYPH-UHFFFAOYSA-N
XLogP1.52
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminoquinolin-3-ol?
The IUPAC name of 5-aminoquinolin-3-ol (CID 86583081) is 5-aminoquinolin-3-ol.
What is the SMILES notation for 5-aminoquinolin-3-ol?
The canonical SMILES for 5-aminoquinolin-3-ol is Nc1cccc2ncc(O)cc12.
What is the InChIKey of 5-aminoquinolin-3-ol?
The InChIKey is YMXQIJJAGDBYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-5,12H,10H2.
What are the key properties of 5-aminoquinolin-3-ol?
5-aminoquinolin-3-ol has a molecular weight of 160.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoquinolin-3-ol is sourced from PubChem (CID 86583081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).