5-nitroquinolin-8-ol

C9H6N2O3 — CID 19910

💊View drug profile → nitroxoline
IUPAC5-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1ccc(O)c2ncccc12
InChIInChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
InChIKeyRJIWZDNTCBHXAL-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.85
Rot. Bonds1

About 5-nitroquinolin-8-ol

5-nitroquinolin-8-ol (PubChem CID 19910) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 5-nitroquinolin-8-ol.

Molecular Properties

Compound Name5-nitroquinolin-8-ol
PubChem CID19910
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name5-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1ccc(O)c2ncccc12
InChIInChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
InChIKeyRJIWZDNTCBHXAL-UHFFFAOYSA-N
XLogP1.85
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-Hydroxyquinoline
CID 1923
5,7-Diiodo-8-hydroxyquinoline
CID 3728
5-Nitroso-8-quinolinol
CID 19103
8-Hydroxyquinoline N-oxide
CID 14312
5-Methyl-8-hydroxyquinoline
CID 71208
5-Amino-8-hydroxyquinoline
CID 416002
3-Hydroxyquinoline
CID 11376
6-Hydroxyquinoline
CID 11374
5-Fluoro-8-quinolinol
CID 217907
Jineol
CID 177338
5-Chloro-7-nitro-8-quinolinol
CID 260645
6-Nitroquinolin-8-ol
CID 605332

Frequently Asked Questions

What is the IUPAC name of 5-nitroquinolin-8-ol?
The IUPAC name of 5-nitroquinolin-8-ol (CID 19910) is 5-nitroquinolin-8-ol.
What is the SMILES notation for 5-nitroquinolin-8-ol?
The canonical SMILES for 5-nitroquinolin-8-ol is O=[N+]([O-])c1ccc(O)c2ncccc12.
What is the InChIKey of 5-nitroquinolin-8-ol?
The InChIKey is RJIWZDNTCBHXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H.
What are the key properties of 5-nitroquinolin-8-ol?
5-nitroquinolin-8-ol has a molecular weight of 190.16 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroquinolin-8-ol is sourced from PubChem (CID 19910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).