8-nitroquinolin-5-amine

C9H7N3O2 — CID 5297195

IUPAC8-nitroquinolin-5-amine
SMILESNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C9H7N3O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H,10H2
InChIKeyHUJXJGQTEDKYER-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.73
Rot. Bonds1

About 8-nitroquinolin-5-amine

8-nitroquinolin-5-amine (PubChem CID 5297195) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 8-nitroquinolin-5-amine.

Molecular Properties

Compound Name8-nitroquinolin-5-amine
PubChem CID5297195
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name8-nitroquinolin-5-amine
SMILESNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C9H7N3O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H,10H2
InChIKeyHUJXJGQTEDKYER-UHFFFAOYSA-N
XLogP1.73
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-nitroquinolin-5-amine?
The IUPAC name of 8-nitroquinolin-5-amine (CID 5297195) is 8-nitroquinolin-5-amine.
What is the SMILES notation for 8-nitroquinolin-5-amine?
The canonical SMILES for 8-nitroquinolin-5-amine is Nc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 8-nitroquinolin-5-amine?
The InChIKey is HUJXJGQTEDKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-7-3-4-8(12(13)14)9-6(7)2-1-5-11-9/h1-5H,10H2.
What are the key properties of 8-nitroquinolin-5-amine?
8-nitroquinolin-5-amine has a molecular weight of 189.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitroquinolin-5-amine is sourced from PubChem (CID 5297195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).