8-nitro-N-pyridin-2-ylquinolin-2-amine

C14H10N4O2 — CID 23792143

IUPAC8-nitro-N-pyridin-2-ylquinolin-2-amine
SMILESO=[N+]([O-])c1cccc2ccc(Nc3ccccn3)nc12
InChIInChI=1S/C14H10N4O2/c19-18(20)11-5-3-4-10-7-8-13(17-14(10)11)16-12-6-1-2-9-15-12/h1-9H,(H,15,16,17)
InChIKeyUCGBJQLLSKWJLB-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.28
Rot. Bonds3

About 8-nitro-N-pyridin-2-ylquinolin-2-amine

8-nitro-N-pyridin-2-ylquinolin-2-amine (PubChem CID 23792143) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 8-nitro-N-pyridin-2-ylquinolin-2-amine.

Molecular Properties

Compound Name8-nitro-N-pyridin-2-ylquinolin-2-amine
PubChem CID23792143
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name8-nitro-N-pyridin-2-ylquinolin-2-amine
SMILESO=[N+]([O-])c1cccc2ccc(Nc3ccccn3)nc12
InChIInChI=1S/C14H10N4O2/c19-18(20)11-5-3-4-10-7-8-13(17-14(10)11)16-12-6-1-2-9-15-12/h1-9H,(H,15,16,17)
InChIKeyUCGBJQLLSKWJLB-UHFFFAOYSA-N
XLogP3.28
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-nitro-N-pyridin-2-ylquinolin-2-amine?
The IUPAC name of 8-nitro-N-pyridin-2-ylquinolin-2-amine (CID 23792143) is 8-nitro-N-pyridin-2-ylquinolin-2-amine.
What is the SMILES notation for 8-nitro-N-pyridin-2-ylquinolin-2-amine?
The canonical SMILES for 8-nitro-N-pyridin-2-ylquinolin-2-amine is O=[N+]([O-])c1cccc2ccc(Nc3ccccn3)nc12.
What is the InChIKey of 8-nitro-N-pyridin-2-ylquinolin-2-amine?
The InChIKey is UCGBJQLLSKWJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)11-5-3-4-10-7-8-13(17-14(10)11)16-12-6-1-2-9-15-12/h1-9H,(H,15,16,17).
What are the key properties of 8-nitro-N-pyridin-2-ylquinolin-2-amine?
8-nitro-N-pyridin-2-ylquinolin-2-amine has a molecular weight of 266.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-N-pyridin-2-ylquinolin-2-amine is sourced from PubChem (CID 23792143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).