6-nitroquinolin-8-ol

C9H6N2O3 — CID 605332

IUPAC6-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1cc(O)c2ncccc2c1
InChIInChI=1S/C9H6N2O3/c12-8-5-7(11(13)14)4-6-2-1-3-10-9(6)8/h1-5,12H
InChIKeyBVBQGQLGXJDKLZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.85
Rot. Bonds1

About 6-nitroquinolin-8-ol

6-nitroquinolin-8-ol (PubChem CID 605332) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-nitroquinolin-8-ol.

Molecular Properties

Compound Name6-nitroquinolin-8-ol
PubChem CID605332
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name6-nitroquinolin-8-ol
SMILESO=[N+]([O-])c1cc(O)c2ncccc2c1
InChIInChI=1S/C9H6N2O3/c12-8-5-7(11(13)14)4-6-2-1-3-10-9(6)8/h1-5,12H
InChIKeyBVBQGQLGXJDKLZ-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'}

Analyze 6-nitroquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Hydroxyquinoline
CID 1923
5,7-Diiodo-8-hydroxyquinoline
CID 3728
Nitroxoline
CID 19910
5-Nitroso-8-quinolinol
CID 19103
8-Hydroxyquinoline N-oxide
CID 14312
3-Hydroxyquinoline
CID 11376
5-Methyl-8-hydroxyquinoline
CID 71208
5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
Mls002637543
CID 219563
5-Fluoro-8-quinolinol
CID 217907
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
Jineol
CID 177338

Frequently Asked Questions

What is the IUPAC name of 6-nitroquinolin-8-ol?
The IUPAC name of 6-nitroquinolin-8-ol (CID 605332) is 6-nitroquinolin-8-ol.
What is the SMILES notation for 6-nitroquinolin-8-ol?
The canonical SMILES for 6-nitroquinolin-8-ol is O=[N+]([O-])c1cc(O)c2ncccc2c1.
What is the InChIKey of 6-nitroquinolin-8-ol?
The InChIKey is BVBQGQLGXJDKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-8-5-7(11(13)14)4-6-2-1-3-10-9(6)8/h1-5,12H.
What are the key properties of 6-nitroquinolin-8-ol?
6-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 6-nitroquinolin-8-ol is sourced from PubChem (CID 605332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).