3-nitroquinoline

C9H6N2O2 — CID 25551

IUPAC3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1
InChIInChI=1S/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H
InChIKeyZXVRNZRQQRBDLX-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.14
Rot. Bonds1

About 3-nitroquinoline

3-nitroquinoline (PubChem CID 25551) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-nitroquinoline.

Molecular Properties

Compound Name3-nitroquinoline
PubChem CID25551
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccccc2c1
InChIInChI=1S/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H
InChIKeyZXVRNZRQQRBDLX-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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Related Compounds

4-Nitroquinoline 1-Oxide
CID 5955
Quinoline
CID 7047
5-Methylquinoxaline
CID 61670
4-Methylquinoline
CID 10285
8-Nitroquinoline
CID 11830
8-Methylquinoline
CID 11910
4-(4-Nitrobenzyl)pyridine
CID 14129
3-Aminoquinoline
CID 11375
3-Methylquinoline
CID 11926
5-Nitroquinoline
CID 11829
8-Aminoquinoline
CID 11359
2-Methyl-6-nitroquinoline
CID 69172

Frequently Asked Questions

What is the IUPAC name of 3-nitroquinoline?
The IUPAC name of 3-nitroquinoline (CID 25551) is 3-nitroquinoline.
What is the SMILES notation for 3-nitroquinoline?
The canonical SMILES for 3-nitroquinoline is O=[N+]([O-])c1cnc2ccccc2c1.
What is the InChIKey of 3-nitroquinoline?
The InChIKey is ZXVRNZRQQRBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H.
What are the key properties of 3-nitroquinoline?
3-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 3-nitroquinoline is sourced from PubChem (CID 25551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).