8-nitroquinoline

C9H6N2O2 — CID 11830

IUPAC8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2cccnc12
InChIInChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
InChIKeyOQHHSGRZCKGLCY-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.14
Rot. Bonds1

About 8-nitroquinoline

8-nitroquinoline (PubChem CID 11830) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 8-nitroquinoline.

Molecular Properties

Compound Name8-nitroquinoline
PubChem CID11830
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2cccnc12
InChIInChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
InChIKeyOQHHSGRZCKGLCY-UHFFFAOYSA-N
XLogP2.14
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 8-nitroquinoline?
The IUPAC name of 8-nitroquinoline (CID 11830) is 8-nitroquinoline.
What is the SMILES notation for 8-nitroquinoline?
The canonical SMILES for 8-nitroquinoline is O=[N+]([O-])c1cccc2cccnc12.
What is the InChIKey of 8-nitroquinoline?
The InChIKey is OQHHSGRZCKGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H.
What are the key properties of 8-nitroquinoline?
8-nitroquinoline has a molecular weight of 174.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitroquinoline is sourced from PubChem (CID 11830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).